SCHEMBL11036130

SCHEMBL11036130

CCCCCCCCCCCCCCCCCC(=O)N(N)c1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ HDAC1 Q13547 5/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ NFKB2 Q00653 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
SCHEMBL24555361 1.00 NPC1 (0.54) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL24555364 0.90 NPC1 (0.52) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL15722747 0.80 NPC1 (0.50) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL16705693 0.80 NPC1 (0.50) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL23185863 0.80 NPC1 (0.50) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL15722637 0.80 NPC1 (0.50) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL18369556 0.79 NPC1 (0.51) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL29632810 0.78 L3MBTL1 (0.51) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL15722636 0.77 NPC1 (0.52) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5380991 0.76 ALOX15 (0.45) NPC1RAB9AALDH1A1L3MBTL1SMN1; 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
JP-59137454-A — — None — — JP disclosed
JP-S59137454-A HYDRAZONE COMPOUND RICOH CO LTD 1984-08-07 — — JP disclosed
Send feedback