SCHEMBL19977086

SCHEMBL19977086

Cc1ccccc1C(=O)NC(C)C(=O)Nc1cc(F)cc2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.41
BIRC2 Q13490 2/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PABPC1 P11940 2/20 0.39
EIF4H Q15056 2/20 0.39
HPGD P15428 1/20 0.39
PYGL P06737 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
GRM4 Q14833 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL19977004 0.86 SMN1; SMN2 (0.48) XIAPBIRC2CYP1A2CYP3A4KDM4E
SCHEMBL19976939 0.85 ALDH1A1 (0.56) LMNAKDM4EALDH1A1PABPC1EIF4H
SCHEMBL18272418 0.85 CTSV (0.45) PYGL
SCHEMBL19976919 0.79 LMNA (0.47) LMNAESR1KDM4EALDH1A1HPGD
SCHEMBL19976908 0.78 ALDH1A1 (0.55) LMNACYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL19976994 0.75 PGR (0.57) LMNAKDM4EALDH1A1HPGDNPC1
SCHEMBL19976930 0.74 ALDH1A1 (0.55) LMNAALDH1A1HPGDPYGLPOLB
SCHEMBL19977047 0.74 MRGPRX1 (0.45) LMNAALDH1A1HPGDPOLBTHRB
SCHEMBL19976933 0.74 PABPC1 (0.73) LMNAKDM4EALDH1A1PABPC1EIF4H
SCHEMBL19976943 0.71 KMT2A (0.48) LMNAESR1KDM4EALDH1A1HPGD

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-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed