SCHEMBL20041705

SCHEMBL20041705

CCc1ccc2nc3oc4ccccc4n3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ACSS2 Q9NR19 2/20 0.41
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP26A1 O43174 1/20 0.36
MIF P14174 1/20 0.36
MAPT P10636 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAP3K14 Q99558 1/20 0.34

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
SCHEMBL17507245 0.81 NPC1 (0.51) RAB9ANPC1ACSS2MIFMAPT
SCHEMBL17491659 0.78 NPC1 (0.66) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL17491665 0.78 NPC1 (0.51) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL20560869 0.78 NPC1 (0.51) RAB9ANPC1CYP1A2KDM4EALDH1A1
SCHEMBL20041633 0.78 NPC1 (0.51) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL17507363 0.77 NPC1 (0.54) RAB9ANPC1CYP1A2CYP26A1MAPT
SCHEMBL18711564 0.77 NPC1 (0.45) RAB9ANPC1ACSS2MAPTMEN1
SCHEMBL18701299 0.77 NPC1 (0.50) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL18701364 0.75 NPC1 (0.51) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL20041610 0.75 NPC1 (0.51) RAB9ANPC1CYP1A2CYP26A1MAPT

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