SCHEMBL7330458

SCHEMBL7330458

O=C(OCc1ccccc1)c1c2ccccc2n2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 2/20 0.41
EGLN1 Q9GZT9 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41
TACR1 P25103 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
AGTR1 P30556 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL7323962 0.81 IDO1 (0.47) KMT2ALMNAALDH1A1KDM4EMAPT
SCHEMBL7101474 0.69 POLB (0.62) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL10280698 0.69 KMT2A (0.58) L3MBTL1POLBTDP1KMT2ASLC6A2
SCHEMBL29517899 0.69 ALDH1A1 (0.49) L3MBTL1TSHRRAB9ATDP1KMT2A
SCHEMBL18118665 0.68 KMT2A (0.56) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL365618 0.68 L3MBTL1 (0.39) L3MBTL1TSHRPOLBTDP1KMT2A
SCHEMBL19879341 0.68 ALDH1A1 (0.52) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL19836836 0.68 ALDH1A1 (0.73) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL367103 0.68 ALDH1A1 (0.43) L3MBTL1TSHRRAB9APOLBTDP1
SCHEMBL27032889 0.68 TDP1 (0.50) L3MBTL1TSHRCASP3RAB9ASENP8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998409-A GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-12-07 US disclosed
EP-0630376-B1 CONDENSED INDOLE DERIVATIVES AS 5-HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-02 EP disclosed
US-5852014-A Condensed indole derivatives as 5HT4 -receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1998-12-22 US disclosed
EP-0630376-A1 CONDENSED INDOLE DERIVATIVES AS 5HT 4?-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-28 EP disclosed
WO-1993018036-A1 CONDENSED INDOLE DERIVATIVES AS 5HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-09-16 WO disclosed