SCHEMBL6582004

SCHEMBL6582004

Nc1ccc(Cl)cc1Cn1nnnc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMO O15229 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 1/20 0.36
HPGD P15428 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
MAPT P10636 2/20 0.35
PTGER1 P34995 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL6581880 0.90 POLB (0.43) POLBNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6580285 0.84 POLB (0.58) POLBNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6579893 0.81 HPGD (0.41) TSHRNPSR1ALDH1A1HSD11B1HPGD
SCHEMBL6580167 0.79 ERCC5 (0.45) POLBTSHRALDH1A1HPGDFLT1
SCHEMBL6577327 0.72 HPGD (0.54) TSHRALDH1A1HPGD
SCHEMBL11271744 0.71 HPGD (0.53) TSHRALDH1A1HPGD
SCHEMBL6580310 0.69 HDAC6 (0.45) CYP3A4TSHRALDH1A1HPGD
SCHEMBL6581989 0.68 TGM2 (0.51) NPC1ALDH1A1
SCHEMBL11492285 0.68 KDM4E (0.50) PTGER1CCR2
SCHEMBL6950315 0.67 KEAP1 (0.50) CYP3A4CYP2C9TSHRHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
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