SCHEMBL8925499

SCHEMBL8925499

COc1ccc(C(c2ccccc2)(c2ccccc2)n2nnnc2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KIF11 P52732 4/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MGAM O43451 1/20 0.38
F12 P00748 1/20 0.38
AMY1A P0DUB6 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6577532 0.87 CYP1A2 (0.33) HSD11B1ALDH1A1HTTCA1CA2
SCHEMBL5365776 0.75 TP53 (0.45) ALDH1A1HTTGAACYP1A2NPC1
SCHEMBL6720540 0.70 ALDH1A1 (0.35) ALDH1A1GAACYP1A2
SCHEMBL28711201 0.69 KMT2A (0.60) ALDH1A1KIF11CES2CES1HTT
SCHEMBL6582001 0.69 ERCC5 (0.65) HSD11B1ERCC5FEN1ALDH1A1HTT
SCHEMBL6045338 0.67 KCNN4 (0.55) ALDH1A1KIF11CES2CES1HTT
SCHEMBL12787567 0.67 ALDH1A1 (0.39) ALDH1A1HTT
SCHEMBL8999168 0.67 CES2 (0.36) ALDH1A1CES2CES1HTTMGAM
SCHEMBL8999171 0.67 CES2 (0.36) ALDH1A1CES2CES1HTTMGAM
SCHEMBL8923623 0.66 HCAR3 (0.40) ALDH1A1

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-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed