SCHEMBL6580285

SCHEMBL6580285

O=C(O)c1nnnn1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SLC9A1 P19634 1/20 0.49
PPARG P37231 1/20 0.46
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
JAK2 O60674 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC16A3 O15427 2/20 0.44

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 0.86 POLB (0.43) POLBNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6582004 0.84 POLB (0.40) POLBNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6580167 0.81 ERCC5 (0.45) POLBTSHRLMNAALDH1A1HTT
SCHEMBL6577327 0.74 HPGD (0.54) TSHRLMNAALDH1A1RAB9AHPGD
SCHEMBL11271744 0.73 HPGD (0.53) TSHRLMNAALDH1A1RAB9AHPGD
SCHEMBL6299886 0.73 SLC9A1 (0.63) POLBNPC1CYP1A2CYP3A4CYP2D6
SCHEMBL25333396 0.72 EGLN1 (0.54) NPC1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17727586 0.72 NPC1 (0.69) NPC1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6579893 0.71 HPGD (0.41) TSHRNPSR1LMNAALDH1A1HTT
SCHEMBL5815409 0.71 POLB (0.56) POLBNPC1SLC9A1LMNAALDH1A1

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