SCHEMBL8308417

SCHEMBL8308417

COc1cc(CN2CC[N]CC2)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
ALDH1A1 P00352 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.56
CYP2C9 P11712 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
GAA P10253 1/20 0.51
CA9 Q16790 2/20 0.50
CA2 P00918 1/20 0.50
CYP3A4 P08684 1/20 0.48

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
Hydrochloric Acid SCHEMBL10334149 0.86 KDM4E (0.75) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL9832407 0.84 KDM4E (0.81) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL8310274 0.84 KDM4E (0.49) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL16884170 0.83 POLB (0.82) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL2092284 0.82 KMT2A (0.54) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25834338 0.81 KDM4E (0.69) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL8310001 0.80 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL1889066 0.80 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL16884075 0.80 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL11179651 0.79 USP2 (0.69) KDM4EMEN1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4388312-A HYPOTENSIVE AGENTS, ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-06-14 US claimed
EP-0025692-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP claimed
EP-0025692-A1 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-03-25 EP claimed
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP disclosed
US-4533554-A ANALGESICS, HYPOTENSIVE AGENTS, ANTI-INFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-08-06 US disclosed
US-4388312-A HYPOTENSIVE AGENTS, ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-06-14 US disclosed
EP-0025692-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP disclosed
EP-0025692-A1 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-03-25 EP disclosed