SCHEMBL6581880

SCHEMBL6581880

Nc1cc(Cl)ccc1Cn1nnnc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
SLC9A1 P19634 1/20 0.36
KMO O15229 1/20 0.36
HSD11B1 P28845 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
SCHEMBL6582004 0.90 POLB (0.40) POLBNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6580285 0.86 POLB (0.58) POLBNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6579893 0.81 HPGD (0.41) TSHRNPSR1ALDH1A1HSD11B1HPGD
SCHEMBL6580167 0.79 ERCC5 (0.45) POLBTSHRALDH1A1FLT1KDR
SCHEMBL6577327 0.72 HPGD (0.54) TSHRALDH1A1HPGD
SCHEMBL11271744 0.71 HPGD (0.53) TSHRALDH1A1HPGD
SCHEMBL6580310 0.69 HDAC6 (0.45) CYP3A4TSHRALDH1A1HPGD
SCHEMBL11495227 0.68 KDM4E (0.50) NPC1CYP3A4CYP2C9CCR2PPARG
SCHEMBL14610401 0.67 CCR1 (0.46) NPC1CYP3A4TSHRTP53ALDH1A1
SCHEMBL3965088 0.67 KEAP1 (0.50) CYP3A4CYP2C9TSHRTP53MAPT

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