SCHEMBL9744452

SCHEMBL9744452

Cn1nccc1C(=O)c1ccc(O)c(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SCN10A Q9Y5Y9 2/20 0.35
GPR52 Q9Y2T5 1/20 0.35

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
SCHEMBL10400033 0.82 HTT (0.52) HTTNPC1RAB9ACYP1A2CYP2D6
SCHEMBL10552954 0.81 HTT (0.51) HTTNPC1RAB9ACYP1A2CYP2D6
SCHEMBL9503246 0.81 MEN1 (0.47) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL17847847 0.76 HTT (0.51) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL10554694 0.76 P2RX7 (0.43) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL9745131 0.76 ALDH1A1 (0.35) HTTNPC1RAB9ACYP1A2CYP2D6
SCHEMBL27278396 0.76 HTT (0.67) HTTNPC1RAB9ACYP1A2CYP2D6
SCHEMBL27676260 0.75 HTT (0.66) HTTNPC1RAB9ACYP1A2CYP2D6
SCHEMBL9744533 0.74 HTT (0.44) HTTNPC1RAB9ACYP1A2CYP2D6
SCHEMBL11055051 0.74 MAPK1 (0.50) HTTNPC1RAB9ACYP1A2CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268800-B1 PHENOXYACETIC ACID DERIVATIVES AND PROCESSES FOR PREPARING THE SAME Tanabe Seiyaku Co., Ltd. (JP) 1992-02-05 EP disclosed
US-4853404-A DIURETIS, SALURETICS, URICOSURETICS TANABE SEIYAKU CO., LTD. (JP) 1989-08-01 US disclosed
EP-0268800-A1 Phenoxyacetic acid derivatives and processes for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1988-06-01 EP disclosed