SCHEMBL4437634

SCHEMBL4437634

C[C@@](I)(NC(=O)c1ccccc1C(=O)O)c1cc2cccc(Cl)c2nc1-c1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
DHODH Q02127 4/20 0.35
EIF4E P06730 1/20 0.35
IDO1 P14902 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
KMO O15229 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL4437843 0.95 ALDH1A1 (0.38) CTSAALDH1A1TSHRDHODHGAA
SCHEMBL4178733 0.78 CTSA (0.45) CTSATSHRKMT2A
SCHEMBL4181164 0.72 CTSA (0.42) CTSATSHRKMT2A
SCHEMBL4433276 0.70 NPC1 (0.48) ALDH1A1GAAKMT2AMAPTSMN1; SMN2
SCHEMBL4443324 0.68 CNR2 (0.36) ALDH1A1TSHRKMT2AMAPTCNR2
SCHEMBL4178225 0.63 PIK3CD (0.43) CTSAALDH1A1TP53
SCHEMBL2342315 0.63 NPC1 (0.55) ALDH1A1DHODHEIF4EGAAMAPT
SCHEMBL7567221 0.62 TSHR (0.52) ALDH1A1TSHRGAAKMT2AMAPT
SCHEMBL22566779 0.62 ALDH1A1 (0.52) ALDH1A1GAAKMT2AMAPT
SCHEMBL12014807 0.61 CTSA (0.45) CTSAALDH1A1SMN1; SMN2

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
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed