SCHEMBL4437843

SCHEMBL4437843

C[C@@](I)(NC(=O)c1ccccc1C(=O)O)c1cc2cccc(Cl)c2nc1-c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSA P10619 3/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 1/20 0.35
DHODH Q02127 5/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR2 P34972 1/20 0.34
CCKAR P32238 1/20 0.34
CCKBR P32239 1/20 0.34
RORC P51449 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4437634 0.95 CTSA (0.38) ALDH1A1TSHRMAPTTP53SMN1; SMN2
SCHEMBL4181164 0.77 CTSA (0.42) TSHRCTSAKMT2A
SCHEMBL4433276 0.76 NPC1 (0.48) ALDH1A1MAPTSMN1; SMN2GAAKMT2A
SCHEMBL4443324 0.73 CNR2 (0.36) ALDH1A1TSHRMAPTKMT2ACNR2
SCHEMBL4178733 0.72 CTSA (0.45) TSHRCTSAKMT2A
SCHEMBL27781354 0.67 MBNL1 (0.40) CTSACNR2
SCHEMBL12014807 0.67 CTSA (0.45) ALDH1A1SMN1; SMN2CTSA
SCHEMBL4167601 0.66 ELANE (0.39) ALDH1A1MAPTSMN1; SMN2CTSAKMT2A
SCHEMBL21543515 0.65 KRAS (0.38) MAPTDHODHNPC1RAB9A
SCHEMBL31745253 0.65 KRAS (0.38) MAPTDHODHNPC1RAB9A

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