SCHEMBL25375499

SCHEMBL25375499

Cc1ccnc(C=O)c1.Cc1ccnc(CNCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.51
▸ KDM4B O94953 1/20 0.51
▸ KDM5C P41229 1/20 0.51
▸ KDM5B Q9UGL1 1/20 0.51
▸ NOS2 P35228 1/20 0.49
▸ KDM1A O60341 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SIRT2 Q8IXJ6 2/20 0.37
▸ F2 P00734 1/20 0.37

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
SCHEMBL25376654 0.89 NOS2 (0.59) KDM4AKDM4BKDM5CKDM5BNOS2
SCHEMBL29875378 0.76 — —
SCHEMBL457223 0.76 — —
Diethylamine SCHEMBL6640415 0.74 UHRF1 (0.41) NOS2ALDH1A1KDM4EHPGDMEN1
SCHEMBL13562418 0.73 NOS2 (0.53) NOS2KDM1AMAOAMAOBALDH1A1
SCHEMBL25373541 0.73 KDM5B (0.47) KDM4AKDM4BKDM5CKDM5BNOS2
SCHEMBL12845761 0.71 KDM4A (0.57) KDM4AKDM4BKDM5CKDM5BALDH1A1
SCHEMBL25299576 0.70 KDM1A (0.44) NOS2KDM1AMAOAMAOBALDH1A1
SCHEMBL2259096 0.70 KDM1A (0.47) KDM4AKDM5CKDM5BNOS2KDM1A
SCHEMBL18160696 0.70 KDM5B (0.45) KDM4AKDM4BKDM5CKDM5BNOS2

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-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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