SCHEMBL46611

SCHEMBL46611

BCc1cccc(C(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
FOLH1 Q04609 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4950108 0.83 ALDH1A1 (0.48) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL46964 0.82 FOLH1 (0.66) FOLH1MRGPRX4TP53NFKB1RAB9A
SCHEMBL29472003 0.82 TSHR (0.47) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL39676 0.82 TSHR (0.47) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL16240333 0.82 PRSS1 (0.55) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL40196 0.80 ALDH1A1 (0.46) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL9929337 0.80 ALDH1A1 (0.46) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL27999087 0.80 ALDH1A1 (0.46) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL18412078 0.80 ALDH1A1 (0.46) ALDH1A1TSHRFOLH1LOXL2CYP4F2
SCHEMBL3890873 0.80 CNR2 (0.51) ALDH1A1TSHRFOLH1LOXL2CYP4F2

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
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed