SCHEMBL5409012

SCHEMBL5409012

CCCCn1nc(-c2ccccc2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGER1 P34995 2/20 0.46
CYP1A2 P05177 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
RORA P35398 2/20 0.42
RORC P51449 2/20 0.42
RORB Q92753 2/20 0.42
NR1H3 Q13133 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL5406664 0.90 PTGER1 (0.53) KDM4ETSHRHSD17B10PTGER1CYP1A2
SCHEMBL4029018 0.88 ESR1 (0.51) KDM4ETSHRHSD17B10PTGER1MEN1
SCHEMBL4035483 0.84 ESR1 (0.44) KDM4EPTGER1MEN1KMT2AMAPT
SCHEMBL5400987 0.81 PTGER1 (0.53) PTGER1CYP1A2MAPTALDH1A1ESR1
SCHEMBL5420530 0.80 ALDH1A1 (0.59) KDM4EPTGER1CYP1A2MAPTALDH1A1
SCHEMBL4030236 0.79 ESR1 (0.57) KDM4EPTGER1CYP1A2MEN1KMT2A
SCHEMBL17326571 0.77 MAPT (0.71) KDM4ETSHRHSD17B10PTGER1CYP1A2
SCHEMBL594869 0.75 CNR2 (0.52) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL4029629 0.74 ESR1 (0.52) KDM4EPTGER1CYP1A2MEN1KMT2A
SCHEMBL4032078 0.74 ESR1 (0.57) PTGER1CYP1A2MEN1KMT2AMAPT

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