SCHEMBL10483515

SCHEMBL10483515

Cc1cc(C(=O)Nc2ncncn2)cc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ DNMT1 P26358 1/20 0.40
▸ DNMT3L Q9UJW3 1/20 0.40
▸ DNMT3A Q9Y6K1 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GLA P06280 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
SCHEMBL10483323 0.76 GABRP (0.53) KMT2AKDM4EMEN1MAPTHDAC1
SCHEMBL3895175 0.75 KMT2A (0.46) KMT2AKDM4EMEN1MAPTRECQL
SCHEMBL28175287 0.73 LMNA (0.58) KMT2AKDM4EMEN1MAPTRECQL
SCHEMBL16677942 0.70 KMT2A (0.69) KMT2AKDM4EMEN1MAPTRECQL
SCHEMBL1291103 0.70 NOS3 (0.50) KMT2AKDM4EMEN1ALDH1A1NOS3
SCHEMBL18266234 0.70 NOS2 (0.50) KDM4EMAPTPOLBALDH1A1PRKCI
SCHEMBL1291158 0.69 KDM4E (0.52) KMT2AKDM4EMEN1MAPTPOLB
SCHEMBL3898264 0.69 GAA (0.45) KMT2AMEN1MAPTRECQLPOLB
SCHEMBL15305668 0.69 NPC1 (0.59) KMT2AKDM4EMEN1MAPTRECQL
SCHEMBL18362996 0.69 NOS3 (0.48) KDM4EPOLBALDH1A1DNMT1DNMT3L

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 — — US claimed
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 — — US disclosed
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