SCHEMBL18449482

SCHEMBL18449482

Clc1nccnc1NCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.53
MAPT P10636 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 4/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
UTS2R Q9UKP6 1/20 0.50
EGFR P00533 1/20 0.50
KMT2A Q03164 3/20 0.49
METAP1 P53582 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 2/20 0.49
METAP2 P50579 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
CYP2D6 P10635 1/20 0.46

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
SCHEMBL31368779 0.83 RAB9A (0.47) MAPTNPC1RAB9AL3MBTL1HTT
SCHEMBL2785512 0.82 ALDH1A1 (0.50) APPMAPTRAB9AHTTLMNA
SCHEMBL3953540 0.79 APP (0.53) APPMAPTNPC1RAB9AL3MBTL1
SCHEMBL9609215 0.77 HTT (0.59) APPMAPTNPC1RAB9AHTT
SCHEMBL4308925 0.77 PIK3CD (0.52) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3111587 0.74 RAB9A (0.74) APPMAPTNPC1RAB9AHTT
SCHEMBL15530810 0.74 MAPT (0.58) APPMAPTNPC1RAB9AL3MBTL1
SCHEMBL9609203 0.74 GALR3 (0.58) APPMAPTNPC1RAB9AHTT
SCHEMBL31240809 0.73 CCNC (0.58) APPMAPTRAB9AHTTLMNA
SCHEMBL9374978 0.73 RAB9A (0.59) APPMAPTNPC1RAB9AL3MBTL1

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-3331863-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2018-06-13 EP disclosed
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 WO disclosed