SCHEMBL9735525

SCHEMBL9735525

COCC1(C)Oc2ccc(C#N)cc2C(Oc2ccc(=O)[nH]n2)=C1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ABCB1 P08183 2/20 0.31
MALT1 Q9UDY8 1/20 0.31
TDP2 O95551 1/20 0.30

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
SCHEMBL9735400 0.86 KDM4E (0.35) KDM4ELMNANPC1RAB9AALDH1A1
SCHEMBL9736173 0.80 LMNA (0.32) KDM4ELMNANPC1RAB9AALDH1A1
SCHEMBL9737151 0.80 ABCB1 (0.32) ABCB1MALT1
SCHEMBL9733219 0.79 LMNA (0.32) KDM4ELMNANPC1RAB9AALDH1A1
SCHEMBL9372031 0.78 KDM4E (0.33) KDM4ELMNANPC1RAB9AALDH1A1
SCHEMBL9736303 0.78 MALT1 (0.36) LMNAABCB1MALT1
SCHEMBL8090676 0.75 PDE4A (0.35) KDM4ELMNANPC1RAB9AALDH1A1
SCHEMBL9735328 0.70 MAOB (0.33) ABCB1MALT1
SCHEMBL9735910 0.70 ABCC9 (0.42) KDM4ELMNAABCB1
SCHEMBL9737765 0.69 ABCB1 (0.38) KDM4EABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed