SCHEMBL9665286

SCHEMBL9665286

O=C(CCCCl)Nc1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.72
HDAC4 P56524 3/20 0.72
HDAC1 Q13547 3/20 0.72
HDAC7 Q8WUI4 3/20 0.72
HDAC2 Q92769 3/20 0.72
HDAC10 Q969S8 3/20 0.72
HDAC11 Q96DB2 3/20 0.72
HDAC8 Q9BY41 3/20 0.72
HDAC6 Q9UBN7 3/20 0.72
HDAC9 Q9UKV0 3/20 0.72
HDAC5 Q9UQL6 3/20 0.72
ALDH1A1 P00352 4/20 0.70
GAA P10253 2/20 0.70
POLB P06746 2/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
PKM P14618 1/20 0.58
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10790442 0.85 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13668924 0.85 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL318557 0.84 GAA (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30440440 0.84 GAA (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1064977 0.84 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22610225 0.84 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1065479 0.84 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8090513 0.84 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1066988 0.84 HDAC3 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15672954 0.83 GAA (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519996-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1992-12-30 EP disclosed
WO-1991013876-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1991-09-19 WO disclosed
US-4683330-A ANTICOAGULANTS, ANTIULCER AGENTS THE UPJOHN COMPANY (US) 1987-07-28 US disclosed
US-4668814-A ANTIULCER AGENTS, ANTIASHMATICS, ANTICOAGULANTS THE UPJOHN COMPANY (US) 1987-05-26 US disclosed
US-4628110-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-12-09 US disclosed
US-4621100-A Treatment of osteoporosis with prostaglandins THE UPJOHN COMPANY (US) 1986-11-04 US disclosed
EP-0089769-B1 9-SUBSTITUTED CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-10-01 EP disclosed
EP-0086611-B1 9-SUBSTITUTED CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-21 EP disclosed
US-4590297-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-05-20 US disclosed
EP-0087237-B1 CARBACYCLIN ANALOGUES THE UPJOHN COMPANY (US) 1986-05-14 EP disclosed
US-4289893-A 2,5-Inter-O-phenylene-3,4-dinor-PGF2 compounds THE UPJOHN COMPANY (US) 1981-09-15 US disclosed
US-4281113-A 2,5-Inter-o-phenylene-3,4-dinor-6,9α-epoxy-6.beta.-5-iodo-PGF1 compounds THE UPJOHN COMPANY (US) 1981-07-28 US disclosed
US-4243592-A THROMBOXANES; PROSTAGLANDINS; ANTIINFLAMMATORY AND BRONCHODILATOR AGENTS; ANTICOAGULANTS THE UPJOHN COMPANY (US) 1981-01-06 US disclosed
US-4220796-A 9-Deoxy-9-methylene-5,6-didehydro-PGF1 compounds THE UPJOHN COMPANY (US) 1980-09-02 US disclosed
US-4218378-A 11a-Methano-TXA compounds THE UPJOHN COMPANY (US) 1980-08-19 US disclosed
US-4160095-A PROSTAGLANDINS; ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-07-03 US disclosed
US-4157441-A PROSTAGLANDINS, ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1979-06-05 US disclosed
US-4151351-A PROSTAGLANDINS, ANTIINFLAMMATORY THE UPJOHN COMPANY (US) 1979-04-24 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed