SCHEMBL8870004

SCHEMBL8870004

Cc1ccccc1C=NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
THRB P10828 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HPGD P15428 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
ALOX15 P16050 2/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 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
SCHEMBL13133350 1.00 MAPT (0.57) MAPTKDM4EALDH1A1THRBTDP1
SCHEMBL25376731 0.82 MAPT (0.52) MAPTKDM4EALDH1A1THRBTDP1
SCHEMBL21715596 0.80 MAPT (0.46) MAPTKDM4EALDH1A1THRBTDP1
SCHEMBL11089874 0.79 CA12 (0.57) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL11089873 0.79 CA12 (0.57) MAPTKDM4EALDH1A1HPGDPOLB
SCHEMBL19228736 0.78 ALDH1A1 (0.46) MAPTKDM4EALDH1A1TDP1HPGD
SCHEMBL10309895 0.78 ALDH1A1 (0.46) MAPTKDM4EALDH1A1TDP1HPGD
SCHEMBL11977409 0.77 MAPT (0.59) MAPTKDM4EALDH1A1THRBTDP1
SCHEMBL13881090 0.77 MAPT (0.57) MAPTKDM4EALDH1A1THRBTDP1
Norletimol SCHEMBL6436311 0.77 MAPT (0.77) MAPTKDM4EALDH1A1THRBTDP1

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 US disclosed