SCHEMBL14356288

SCHEMBL14356288

Cc1c(-c2cccnc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccncc3)cc2-c2ccccc2)cc1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.46
▸ RAB9A P51151 9/20 0.46
▸ NTSR1 P30989 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ UHRF1 Q96T88 1/20 0.46
▸ NR2F2 P24468 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.44
▸ CYP19A1 P11511 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP2E1 P05181 1/20 0.40

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
SCHEMBL9290152 0.88 NPC1 (0.48) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL14164148 0.84 NPC1 (0.51) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL14356289 0.82 NPC1 (0.61) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL17971498 0.79 NPC1 (0.65) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL17971504 0.79 NPC1 (0.65) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL21742767 0.76 CYP2A6 (0.54) CYP19A1CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL20358566 0.74 NPC1 (0.59) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL17971500 0.74 NPC1 (0.64) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL17971507 0.74 NPC1 (0.64) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL20357007 0.74 NPC1 (0.51) NPC1RAB9ANTSR1HTTMAPK1

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
US-7300770-B2 Detection of microbe contamination on elastomeric articles KIMBERLY-CLARK WORLDWIDE, INC. (US) 2007-11-27 — — US disclosed
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