SCHEMBL28047779

SCHEMBL28047779

Nc1cc(-n2cccc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NOS3 P29474 5/20 0.43
NOS2 P35228 5/20 0.43
NOS1 P29475 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CDC7 O00311 1/20 0.42
CDK2 P24941 1/20 0.42
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38

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
SCHEMBL16720436 0.75 POLB (0.42) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL2380248 0.75 MAPT (0.41) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL5861792 0.75 UHRF1 (0.46) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL2531556 0.75 NOTUM (0.47) MAPTNOS3NOS2NOS1KDM4E
SCHEMBL14858374 0.74 NOS3 (0.46) NOS3NOS2NOS1KDM4EMEN1
Hydrochloric Acid SCHEMBL14858743 0.73 NOTUM (0.46) MAPTNOS3NOS2NOS1KDM4E
SCHEMBL26077742 0.72 NOS3 (0.39) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL20241939 0.72 ELOVL1 (0.43) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL10175045 0.72 CYP2E1 (0.50) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL17768008 0.71 NOTUM (0.51) NOS3NOS2NOS1KDM4EMEN1

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-105315283-A Bruton tyrosine kinases inhibitor CHENGDU BEISIKAIRUI BIOTECHNOLOGY CO LTD 2016-02-10 CN disclosed