SCHEMBL2814765

SCHEMBL2814765

Clc1cc(N2CCOCC2)c2cnccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.50
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
METAP1 P53582 1/20 0.45
POLB P06746 1/20 0.45
MAPK10 P53779 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
AOC3 Q16853 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4733419 0.81 NCF1 (0.74) NCF1MAPTHTTMETAP1POLB
SCHEMBL25722018 0.76 SMN1; SMN2 (0.53) MAPTHTTMETAP1POLBMAPK10
SCHEMBL30308898 0.76 SMN1; SMN2 (0.53) MAPTHTTMETAP1POLBMAPK10
SCHEMBL2541848 0.75 KDM4E (0.60) NCF1MAPTPOLBCYP1A2MEN1
SCHEMBL23755331 0.74 PIK3CA (0.47) NCF1MAPTPOLBCYP1A2CYP2D6
SCHEMBL24776296 0.71 MAPT (0.47) NCF1MAPTMETAP1POLBCYP1A2
SCHEMBL31283928 0.71 MAPT (0.47) NCF1MAPTMETAP1POLBCYP1A2
SCHEMBL25390232 0.70 PIK3CA (0.55) NCF1MAPTCYP1A2CYP2D6KMT2A
SCHEMBL27272600 0.70 ALDH1A1 (0.50) MAPTHTTMETAP1POLBMAPK10
SCHEMBL25719380 0.70 ALDH1A1 (0.50) MAPTHTTMETAP1POLBMAPK10

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
WO-2010037765-A2 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2010-04-08 WO disclosed