SCHEMBL6615869

SCHEMBL6615869

CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3cc(C4CC4)n(C(=O)NCc4ccccc4F)n3)c(O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.41
▸ EPHX2 P34913 3/20 0.40
▸ NR1H4 Q96RI1 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ CRACR2A Q9BSW2 5/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ ROCK1 Q13464 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
SCHEMBL6618867 0.91 TP53 (0.41) NAMPTEPHX2NR1H4MAPTSMN1; SMN2
SCHEMBL6605931 0.91 ACKR3 (0.43) EPHX2NR1H4MAPTSMN1; SMN2TRPV1
SCHEMBL6614591 0.89 P2RY14 (0.42) NAMPTMAPTSMN1; SMN2HDAC1CRACR2A
SCHEMBL6615882 0.87 NR1H4 (0.41) NAMPTEPHX2NR1H4CRACR2ATRPV1
SCHEMBL6614876 0.87 MEN1 (0.43) NAMPTNR1H4MAPTHDAC1MEN1
SCHEMBL6624191 0.87 CRACR2A (0.46) NAMPTMAPTSMN1; SMN2HDAC1CRACR2A
SCHEMBL6621456 0.86 MEN1 (0.44) NR1H4SMN1; SMN2CRACR2ATRPV1MEN1
SCHEMBL6619833 0.86 TRPV1 (0.43) NAMPTTRPV1
SCHEMBL6618415 0.86 MEN1 (0.44) NAMPTEPHX2NR1H4MAPTTRPV1
SCHEMBL6617294 0.85 SLC1A2 (0.39) NAMPTCRACR2AKMT2A

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
Send feedback