SCHEMBL6602944

SCHEMBL6602944

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCCc3ccccc3)n2)c1)c1ccno1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 3/20 0.48
▸ MAPK14 Q16539 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ ACKR3 P25106 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDR P35968 1/20 0.35
▸ CRACR2A Q9BSW2 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34

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
SCHEMBL6614939 0.95 KDM4C (0.41) KDM4CMAPK14HDAC1ACKR3HTR2A
SCHEMBL6615668 0.92 KDM4C (0.49) KDM4CMAPK14HDAC1ACKR3HTR2A
SCHEMBL6616464 0.87 KDM4C (0.42) KDM4CMAPK14HDAC1ACKR3HTR2A
SCHEMBL6615757 0.86 KDM4C (0.40) KDM4CKMT2AMEN1ALDH1A1LMNA
SCHEMBL6615568 0.86 MAPT (0.43) MAPK14KMT2AMEN1ALDH1A1LMNA
SCHEMBL6616798 0.85 KDM4C (0.44) KDM4CMAPK14ACKR3HTR2AKMT2A
SCHEMBL6615628 0.85 KDM4C (0.44) KDM4CMAPK14HDAC1ACKR3HTR2A
SCHEMBL6618457 0.84 MAPK14 (0.43) KDM4CMAPK14HDAC1ACKR3HTR2A
SCHEMBL6617649 0.84 RAB9A (0.43) KDM4CACKR3ROCK2LMNACRACR2A
SCHEMBL6615419 0.84 MAPT (0.40) KDM4CACKR3KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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