SCHEMBL6965640

SCHEMBL6965640

[CH2]OC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
ALDH1A1 P00352 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
LMNA P02545 1/20 0.72
PKM P14618 1/20 0.68
KDM4E B2RXH2 1/20 0.62
HPGD P15428 1/20 0.62
CYP3A4 P08684 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
SLC6A2 P23975 1/20 0.59
FNTA P49354 1/20 0.59
FNTB P49356 1/20 0.59
HRH3 Q9Y5N1 2/20 0.53
AHR P35869 1/20 0.53
GPR84 Q9NQS5 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL4781191 0.85 MAPT (0.74) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27923847 0.84 MAPT (0.72) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29466101 0.84 PKM (0.73) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL584367 0.84 PKM (0.73) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27477114 0.81 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL361312 0.81 PKM (1.00) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2003499 0.81 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30419025 0.81 PKM (1.00) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2269868 0.81 MAPT (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29407882 0.81 MAPT (0.72) MAPTMEN1KMT2AALDH1A1SMN1; 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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed