SCHEMBL3010736

SCHEMBL3010736

N=C=O.N=C=O.N=C=O.O=P(O)(O)OSc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.39
KCNH2 Q12809 1/20 0.37
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE3A Q14432 1/20 0.33
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ACP3 P15309 1/20 0.32
CFTR P13569 1/20 0.31
PDPK1 O15530 1/20 0.31
MTOR P42345 1/20 0.31
PTPN1 P18031 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL9416947 0.90 SRC (0.46) SRCKCNH2CA2CA4CA5A
SCHEMBL3070997 0.76 SRC (0.41) SRCKCNH2CA2CA4CA5A
SCHEMBL2460501 0.73 KCNH2 (0.41) SRCKCNH2CA2CA4CA5A
SCHEMBL3073877 0.71 KCNH2 (0.39) SRCKCNH2CA2CA4CA5A
SCHEMBL9575174 0.71 CYP3A4 (0.40) HSD17B10TSHR
Phenyl Dihydrogen Phosphate SCHEMBL29050209 0.71 SRC (0.79) SRCCA2HPGDHSD17B10KDM4E
SCHEMBL8655948 0.71 LMNA (0.45) HPGDALDH1A1TSHRMAPT
SCHEMBL2831226 0.69 HPGD (0.39) KCNH2HPGDHSD17B10ALDH1A1FFAR1
SCHEMBL331333 0.68 HPGD (0.67) KCNH2HPGDHSD17B10ALDH1A1CYP2C9
Diphenylsulfane SCHEMBL6230589 0.68 MAOA (0.50) HPGDHSD17B10KDM4EALDH1A1FFAR1

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-8344096-B2 Phosphorus-containing polycarbonate polyol, method for production thereof, and phosphorus-containing polycarbonate polyurethane UBE INDUSTRIES, LTD. (JP) 2013-01-01 US disclosed
US-20100197887-A1 PHOSPHORUS-CONTAINING POLYCARBONATE POLYOL, METHOD FOR PRODUCTION THEREOF, AND PHOSPHORUS-CONTAINING POLYCARBONATE POLYURETHANE UBE INDUSTRIES, LTD. (JP) 2010-08-05 US disclosed