SCHEMBL8326622

SCHEMBL8326622

COc1ccc2nc(C)sc2c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.42
PTK2B Q14289 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
RAB9A P51151 5/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ERN1 O75460 3/20 0.37
P2RX7 Q99572 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL8325747 0.78 RAB9A (0.43) KDM4EHPGDMEN1KMT2APPARG
SCHEMBL19435575 0.76 KDM4E (0.48) KDM4EHPGDMEN1KMT2APPARG
SCHEMBL617907 0.76 KDM4E (0.46) KDM4EHPGDMEN1KMT2APPARG
SCHEMBL2404277 0.74 MEN1 (0.51) KDM4EHPGDMEN1KMT2APPARG
SCHEMBL8039228 0.73 ERN1 (0.38) KDM4EHPGDKMT2AMAPTERN1
SCHEMBL8040045 0.73 NQO2 (0.47) KDM4EHPGDMEN1KMT2APPARG
SCHEMBL15001036 0.71 RAB9A (0.57) KDM4EHPGDMEN1KMT2APPARG
SCHEMBL30608694 0.71 ERN1 (0.55) KDM4EHPGDPOLBERN1ALDH1A1
SCHEMBL29818683 0.71 ALDH1A1 (0.48) KDM4EHPGDERN1ALDH1A1
SCHEMBL543240 0.70 CYP2A6 (0.44) KDM4EHPGDMEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 WO disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 US disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed