SCHEMBL9501933

SCHEMBL9501933

CCC(C)(C(=O)O)c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.41
ESRRG P62508 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
ACHE P22303 1/20 0.39
CYP3A4 P08684 2/20 0.39
MAOA P21397 1/20 0.39
BLM P54132 2/20 0.38
PMP22 Q01453 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
SCHEMBL654073 0.85 EPHX2 (0.40) MAPTNPC1RAB9ACYP1A2MEN1
SCHEMBL5674606 0.85 MAPT (0.44) MAPTNPC1RAB9ACYP1A2MEN1
SCHEMBL8494650 0.84 SMN1; SMN2 (0.47) MAPTNPC1RAB9ACYP1A2MEN1
SCHEMBL28915433 0.82 NPC1 (0.46) MAPTNPC1RAB9ACYP1A2MEN1
SCHEMBL8148677 0.82 ESR1 (0.52) CYP1A2MEN1KMT2AESRRGLMNA
SCHEMBL1492728 0.82 CYP2C19 (0.50) MAPTCYP1A2KMT2AALDH1A1TSHR
SCHEMBL10796095 0.81 CYP2C9 (0.58) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL4514966 0.81 MEN1 (0.40) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL15827159 0.81 CYP26B1 (0.40) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL20556837 0.81 MIF (0.48) MAPTNPC1RAB9ACYP1A2MEN1

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-5252573-A Quinazoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 US disclosed