SCHEMBL11601679

SCHEMBL11601679

Cc1ccc(C(=O)Oc2cc(C)nn2C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TNF P01375 1/20 0.41
PKM P14618 1/20 0.41
CDK5 Q00535 1/20 0.41
KLF5 Q13887 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NOD1 Q9Y239 1/20 0.41
MAPT P10636 5/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL11602961 0.84 MAPT (0.54) NPC1RAB9APKMMAPTLMNA
SCHEMBL11653261 0.84 MAPT (0.50) PKMMAPTGAAKMT2AALOX15
SCHEMBL25476901 0.83 ALDH1A1 (0.36) MAPTKMT2AALOX15MEN1ALDH1A1
SCHEMBL11601484 0.79 CYP3A4 (0.41) NPC1RAB9APKMMAPTLMNA
SCHEMBL11602902 0.78 MAPT (0.57) MAPTLMNAGAAKMT2AMEN1
SCHEMBL11313311 0.78 MAPT (0.59) NPC1RAB9APKMMAPTLMNA
SCHEMBL11601176 0.76 KMT2A (0.52) NPC1RAB9APKMMAPTLMNA
SCHEMBL11601247 0.75 KMT2A (0.50) RAB9AMAPTLMNAGAAKMT2A
SCHEMBL29629307 0.75 GAA (0.40) NPC1RAB9AMAPTGAAKMT2A
SCHEMBL11600960 0.75 KMT2A (0.46) NPC1RAB9AMAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4070536-A Process for the preparation of 4-benzoylpyrazole derivatives SANKYO COMPANY LIMITED (JA) 1978-01-24 US disclosed