SCHEMBL668201

SCHEMBL668201

CCCCOc1ccccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ RECQL P46063 2/20 0.58
▸ ALDH1A1 P00352 6/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ HTT P42858 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45

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
SCHEMBL3463529 0.87 NPC1 (0.77) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL1340160 0.83 NPC1 (0.74) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL31734218 0.81 NPC1 (0.72) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL8581954 0.81 NPC1 (0.72) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL29794119 0.81 NPC1 (0.72) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL2304857 0.81 NPC1 (0.72) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL50769 0.81 NPC1 (0.72) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL1123538 0.81 NPC1 (0.72) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL18012379 0.81 NPC1 (0.72) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL30517741 0.81 NPC1 (0.72) NPC1RAB9ARECQLALDH1A1KMT2A

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-2012024558-A2 LIGHT MEDIATED REGULATION OF PROTEIN DIMERIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-02-23 — — WO disclosed
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