SCHEMBL20041537

SCHEMBL20041537

Cn1c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5ccc6nc7oc8ccccc8n7c6c5)cc4)cc3)cc2n2c3ccccc3nc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20041529 0.97 NPC1 (0.35) NPC1RAB9A
SCHEMBL17507252 0.96 NPC1 (0.36) NPC1RAB9A
SCHEMBL17507337 0.96 NPC1 (0.36) NPC1RAB9A
SCHEMBL17507338 0.94 NPC1 (0.36) NPC1RAB9A
SCHEMBL17507380 0.93 NPC1 (0.38) NPC1RAB9A
SCHEMBL17507389 0.93 NPC1 (0.35) NPC1RAB9A
SCHEMBL17507379 0.92 NPC1 (0.37) NPC1RAB9A
SCHEMBL17507381 0.90 NPC1 (0.36) NPC1RAB9A
SCHEMBL20041708 0.87 NPC1 (0.34) NPC1RAB9A
SCHEMBL17507247 0.87 NPC1 (0.32) NPC1RAB9A

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
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed