SCHEMBL3829362

SCHEMBL3829362

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(CCCN2CCOCC2)NC(=O)NCc2cccc(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.42
KDM1A O60341 1/20 0.42
ALDH1A1 P00352 3/20 0.41
BCL3 P20749 2/20 0.40
ATM Q13315 1/20 0.39
TACR2 P21452 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 2/20 0.39
EPHX2 P34913 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SRC P12931 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
SCHEMBL2477110 0.92 KDM1A (0.47) CD274KDM1AALDH1A1BCL3POLB
SCHEMBL2476095 0.87 CD274 (0.47) CD274KDM1AALDH1A1BCL3TACR2
SCHEMBL2477763 0.86 POLB (0.47) CD274KDM1AALDH1A1BCL3TACR2
SCHEMBL4392198 0.81 CD274 (0.46) CD274KDM1AALDH1A1BCL3TACR2
SCHEMBL2479143 0.81 KDM1A (0.45) CD274KDM1AALDH1A1BCL3ATM
SCHEMBL11898694 0.81 CD274 (0.45) CD274KDM1AALDH1A1BCL3TACR2
SCHEMBL2477762 0.81 CD274 (0.45) CD274KDM1AALDH1A1BCL3TACR2
SCHEMBL2474232 0.80 NAMPT (0.47) CD274ALDH1A1BCL3POLBLMNA
SCHEMBL2477555 0.79 CD274 (0.47) CD274ALDH1A1TACR2KMT2ALMNA
SCHEMBL2477400 0.79 CYP2D6 (0.48) CD274KDM1AALDH1A1BCL3POLB

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
EP-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed