SCHEMBL6616663

SCHEMBL6616663

CCNC(=O)n1nc(-c2cc(NC(=O)c3ccc(CC)cc3)ccc2O)cc1C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.39
▸ ADCY1 Q08828 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ MAPT P10636 6/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ KDM3A Q9Y4C1 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL6616766 0.98 ADCY1 (0.41) RAB9AADCY1NPC1MAPTLMNA
SCHEMBL6614797 0.93 RAB9A (0.38) RAB9AADCY1NPC1MAPTLMNA
SCHEMBL6618133 0.91 RAB9A (0.41) RAB9AADCY1NPC1MAPTTP53
SCHEMBL6615827 0.91 RAB9A (0.38) RAB9AADCY1NPC1MAPTLMNA
SCHEMBL6619769 0.91 LMNA (0.40) RAB9AADCY1NPC1MAPTLMNA
SCHEMBL6615591 0.91 RAB9A (0.39) RAB9AADCY1NPC1MAPTLMNA
SCHEMBL6617914 0.90 KMT2A (0.47) RAB9ANPC1MAPTLMNATP53
SCHEMBL6621561 0.90 SMN1; SMN2 (0.40) RAB9ANPC1MAPTLMNAKDM6B
SCHEMBL6619118 0.88 TAOK1 (0.40) RAB9AADCY1NPC1MAPTLMNA
SCHEMBL6619787 0.87 MAPK14 (0.41) RAB9ANPC1MAPTLMNAKDM6B

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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