SCHEMBL11653261

SCHEMBL11653261

Cc1ccc(C(=O)Oc2cc(C)nn2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KMT2A Q03164 9/20 0.49
ALOX15 P16050 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
GAA P10253 4/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 5/20 0.45
PKM P14618 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
GBA1 P04062 1/20 0.42

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
SCHEMBL11601247 0.88 KMT2A (0.50) MAPTKMT2AALOX15CYP1A2CYP2C9
SCHEMBL11601679 0.84 NPC1 (0.41) MAPTKMT2AALOX15GAAALDH1A1
SCHEMBL11599847 0.83 MAPT (0.49) MAPTKMT2AALOX15GAAALDH1A1
SCHEMBL11601121 0.79 LMNA (0.56) MAPTKMT2AALOX15GAAALDH1A1
SCHEMBL13182693 0.78 ALDH1A1 (0.47) MAPTKMT2ACYP1A2CYP2C9GAA
SCHEMBL3416368 0.76 SMN1; SMN2 (0.43) MAPTKMT2AALOX15KDM4EMEN1
SCHEMBL27682646 0.76 SMN1; SMN2 (0.43) MAPTKMT2AALOX15CYP1A2HPGD
SCHEMBL11602961 0.76 MAPT (0.54) MAPTKMT2AALOX15CYP2C9PKM
SCHEMBL11602902 0.76 MAPT (0.57) MAPTKMT2ACYP1A2CYP2C9GAA
SCHEMBL25476901 0.76 ALDH1A1 (0.36) MAPTKMT2AALOX15HPGDALDH1A1

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