SCHEMBL10483431

SCHEMBL10483431

Nc1nc(NC(=O)c2cccnc2)nc(-c2cc3ccccc3cc2Br)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HDAC1 Q13547 4/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ KCNK3 O14649 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL10483366 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL10483367 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL10822653 0.85 MAPT (0.54) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL10822457 0.85 HSD17B10 (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL10483542 0.82 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL10483348 0.82 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9566451 0.81 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9566406 0.81 HDAC1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11591466 0.81 HDAC1 (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11591085 0.81 HDAC1 (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 6 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-4593025-A A 2-naphthyl-4,6-diamino-s-triazine compound NIPPON SHINYAKU CO., LTD. (JP) 1986-06-03 — — US claimed
US-4554275-A Triazine derivatives NIPPON SHINYAKU CO., LTD. (JP) 1985-11-19 — — US claimed
US-4874762-A TREATING DEMENTIA NIPPON SHINYAKU CO., LTD. (JP) 1989-10-17 — — US disclosed
US-4593025-A A 2-naphthyl-4,6-diamino-s-triazine compound NIPPON SHINYAKU CO., LTD. (JP) 1986-06-03 — — US disclosed
US-4554275-A Triazine derivatives NIPPON SHINYAKU CO., LTD. (JP) 1985-11-19 — — US disclosed
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