SCHEMBL6618182

SCHEMBL6618182

CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3cc(C4CC4)n(C(=O)NC4CC4)n3)c(O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TRPV1 Q8NER1 5/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ CRACR2A Q9BSW2 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL6621456 0.88 MEN1 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6610153 0.86 MEN1 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6621127 0.85 MEN1 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6615259 0.85 MEN1 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6616880 0.85 MEN1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6619126 0.84 CRACR2A (0.48) MEN1KMT2ARAB9ASMN1; SMN2ACKR3
SCHEMBL6614620 0.84 RAF1 (0.47) MEN1KMT2ARAB9AACKR3LMNA
SCHEMBL6616573 0.84 NR1H4 (0.41) MEN1KMT2ATRPV1MAPK14EPHX2
SCHEMBL6620772 0.83 MEN1 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6617816 0.83 KMT2A (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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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