SCHEMBL7440427

SCHEMBL7440427

COC(=O)c1ccc(-c2nnn(C(C(=O)OCc3ccccc3)C(=O)C(N)CC(=O)OC(C)(C)C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 2/20 0.44
THRB P10828 2/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 2/20 0.41
LTA4H P09960 3/20 0.41
NPC1 O15118 1/20 0.38
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL7437714 0.93 CYP1A2 (0.43) SMN1; SMN2HTTTHRBMAPTCYP1A2
SCHEMBL7431022 0.93 CYP1A2 (0.47) SMN1; SMN2HTTTHRBMAPTCYP1A2
SCHEMBL7438701 0.93 CYP1A2 (0.48) SMN1; SMN2HTTTHRBMAPTCYP1A2
SCHEMBL7439136 0.92 SMN1; SMN2 (0.48) SMN1; SMN2HTTTHRBMAPTCYP1A2
SCHEMBL7439108 0.92 CYP1A2 (0.41) SMN1; SMN2HTTTHRBMAPTCYP1A2
SCHEMBL7445782 0.88 CYP1A2 (0.35) SMN1; SMN2HTTTHRBMAPTCYP1A2
SCHEMBL7433917 0.87 AVPR2 (0.41) THRBMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7432463 0.87 HPGD (0.38) THRBMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7434576 0.87 LNPEP (0.38) SMN1; SMN2HTTTHRBMAPTCYP1A2
SCHEMBL7431147 0.87 MAPT (0.40) SMN1; SMN2HTTTHRBMAPTRAB9A

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
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed