SCHEMBL27732858

SCHEMBL27732858

Clc1cc(-c2ccccc2)cc2c1CCN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ NOTUM Q6P988 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PARP10 Q53GL7 3/20 0.39
▸ PARP11 Q9NR21 3/20 0.39
▸ CDK2 P24941 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ CLK1 P49759 1/20 0.36
▸ CLK2 P49760 1/20 0.36

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
SCHEMBL27732656 0.81 KDM4E (0.34) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL1877071 0.75 NOTUM (0.55) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL29599871 0.75 NOTUM (0.55) MEN1KMT2AKDM4EMAPTGAA
Indoline SCHEMBL22344733 0.73 NOTUM (0.46) MEN1KMT2AMAPTGAANOTUM
SCHEMBL18554680 0.73 ASIC3 (0.46) MAPTPNMT
SCHEMBL17785849 0.72 AXL (0.41) NOTUM
SCHEMBL158725 0.70 NOTUM (0.59) MEN1KMT2AMAPTNOTUMBCHE
SCHEMBL29807547 0.70 NOTUM (0.59) MEN1KMT2AMAPTNOTUMBCHE
SCHEMBL4718616 0.69 KDM4E (0.63) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL28212105 0.68 PARP10 (0.45) MEN1KMT2AKDM4ENPC1MAPT

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-101257948-A Pyrimidine-fused diazepine derivatives and indole-fused pteridines ATTENUON LLC (US) 2008-09-03 — — CN disclosed
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