SCHEMBL20041731

SCHEMBL20041731

Cc1ccc2c(c1)c1cc(-c3ccc4oc5nc6ccccc6n5c4c3)ccc1n2-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 7/20 0.36
HPGD P15428 6/20 0.36
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
PDE10A Q9Y233 3/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL17507331 0.92 NPC1 (0.43) NPC1RAB9AMAPK1HTTALDH1A1
SCHEMBL17507388 0.91 NPC1 (0.46) NPC1RAB9AMAPK1HTTALDH1A1
SCHEMBL17507365 0.90 ALDH1A1 (0.40) NPC1RAB9AMAPK1ALDH1A1HPGD
SCHEMBL20041423 0.87 NPC1 (0.42) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL17507246 0.84 FLT3 (0.39) NPC1RAB9AMAPK1HTTALDH1A1
SCHEMBL17507332 0.83 NPC1 (0.49) NPC1RAB9AMAPK1HTTALDH1A1
SCHEMBL20041552 0.82 NPC1 (0.41) NPC1RAB9AMAPK1ALDH1A1HPGD
SCHEMBL20041655 0.81 TP53 (0.45) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL16920070 0.81 MAPK1 (0.41) MAPK1HTTALDH1A1HPGDKDM4E
SCHEMBL17507420 0.80 NPC1 (0.48) NPC1RAB9AALDH1A1HPGDKDM4E

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