SCHEMBL5400293

SCHEMBL5400293

OCCn1nc(-c2ccccc2)c2ccc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ESR1 P03372 2/20 0.49
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 2/20 0.48
KMO O15229 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4033542 0.88 ESR1 (0.57) MAPTESR1KMOKMT2AMARS1
SCHEMBL4034670 0.83 ESR1 (0.43) MAPTESR1KMOMARS1
SCHEMBL4025361 0.77 ESR1 (0.62) MAPTESR1ALDH1A1LMNAHTT
SCHEMBL4203517 0.77 ESR1 (0.64) ESR1KMOMARS1
SCHEMBL15631868 0.77 MAPT (0.83) MAPTKDM4EHSD17B10TSHRKMO
SCHEMBL5412777 0.75 KMT2A (0.48) MAPTESR1KDM4EHSD17B10TSHR
SCHEMBL5409043 0.75 PTGER1 (0.48) MAPTESR1KDM4EHSD17B10TSHR
SCHEMBL4032520 0.74 ESR1 (0.60) MAPTESR1KDM4EHSD17B10TSHR
SCHEMBL11832928 0.73 MAPT (0.57) MAPTKDM4EHSD17B10TSHRALDH1A1
SCHEMBL4030028 0.73 ESR1 (0.47) MAPTESR1KDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US disclosed