SCHEMBL31361379

SCHEMBL31361379

Cn1cnc2ccc(CCl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
GFER P55789 2/20 0.44
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
PRKCI P41743 1/20 0.40

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
SCHEMBL21385023 1.00 DYRK1A (0.47) DYRK1ANPC1RAB9AGFERKDM4E
SCHEMBL17924299 0.86 NPC1 (0.55) NPC1RAB9AGFERKDM4ESMN1; SMN2
SCHEMBL8738054 0.84 NPC1 (0.54) DYRK1ANPC1RAB9AGFERKDM4E
SCHEMBL20946380 0.82 DYRK1A (0.51) DYRK1ANPC1RAB9AGFERKDM4E
SCHEMBL4336512 0.82 DYRK1A (0.47) DYRK1ANPC1RAB9AGFERKDM4E
SCHEMBL29305737 0.81 DYRK1A (0.46) DYRK1ANPC1RAB9AGFERKDM4E
SCHEMBL24244659 0.79 DYRK1A (0.45) DYRK1ANPC1RAB9AGFERKDM4E
SCHEMBL17316745 0.77 ALDH1A1 (0.51) DYRK1AKDM4EGAAALDH1A1LMNA
SCHEMBL29306045 0.77 CACNA1G (0.49) DYRK1ANPC1RAB9AGFERKDM4E
Hydrochloric Acid SCHEMBL9664263 0.77 HTT (0.35) SMN1; SMN2ALDH1A1LMNAHTTHPGD

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
CN-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed