SCHEMBL6617646

SCHEMBL6617646

O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NC3CC3)n2)c1)c1ccno1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.49
▸ ACKR3 P25106 1/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ MAPK14 Q16539 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ RORC P51449 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ KDM6B O15054 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM4D Q6B0I6 1/20 0.33
▸ HIF1AN Q9NWT6 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ KDM2A Q9Y2K7 1/20 0.33
▸ KDM3A Q9Y4C1 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ F2RL1 P55085 1/20 0.33

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
SCHEMBL6616476 0.84 MAPT (0.44) KMT2AMEN1NPC1RAB9A
SCHEMBL6615838 0.82 MAPT (0.46) KMT2AMEN1NPC1RAB9A
SCHEMBL6615668 0.82 KDM4C (0.49) KDM4CACKR3KMT2AMEN1MAPK14
SCHEMBL6615958 0.82 KDM4C (0.49) KDM4CACKR3KMT2AMEN1MAPK14
SCHEMBL6602944 0.81 KDM4C (0.48) KDM4CACKR3KMT2AMEN1MAPK14
SCHEMBL6617028 0.81 KDM4C (0.42) KDM4CACKR3KMT2AMEN1MAPK14
SCHEMBL6613803 0.81 NPC1 (0.47) KMT2AMEN1NPC1RAB9A
SCHEMBL6618835 0.79 KMT2A (0.37) ACKR3KMT2AMEN1NPC1RAB9A
SCHEMBL6616798 0.79 KDM4C (0.44) KDM4CACKR3KMT2AMEN1MAPK14
SCHEMBL6615628 0.79 KDM4C (0.44) KDM4CACKR3KMT2AMEN1MAPK14

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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