SCHEMBL10483482

SCHEMBL10483482

Nc1nc(NC(=O)c2cccnc2)nc(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KCNMA1 Q12791 1/20 0.52
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PTK2B Q14289 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GRM5 P41594 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44

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
SCHEMBL9566577 0.91 NPC1 (0.54) MEN1KMT2AKCNMA1MAPK1L3MBTL1
SCHEMBL9566451 0.88 SMN1; SMN2 (0.56) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL10483366 0.87 NPC1 (0.51) MEN1KMT2AKCNMA1L3MBTL1NPC1
SCHEMBL10822593 0.85 NPC1 (0.48) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL9566457 0.84 SMN1; SMN2 (0.55) MEN1KMT2AKCNMA1MAPK1NPC1
SCHEMBL9566631 0.83 MEN1 (0.56) MEN1KMT2AKCNMA1MAPK1L3MBTL1
SCHEMBL9566558 0.82 NPC1 (0.49) MEN1KMT2AKCNMA1L3MBTL1NPC1
SCHEMBL9566608 0.81 NPC1 (0.58) MEN1KMT2AKCNMA1L3MBTL1NPC1
SCHEMBL11591466 0.81 HDAC1 (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11591085 0.81 HDAC1 (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
Send feedback