SCHEMBL17899346

SCHEMBL17899346

c1ccc(-c2ccc(-c3ccc4ccc5ccc(-c6ccc(-c7ccncc7)cc6)nc5c4n3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
AR P10275 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 3/20 0.49
PARP1 P09874 1/20 0.46
MAPT P10636 4/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.45
MAPK13 O15264 1/20 0.44

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
SCHEMBL10032371 0.90 MEN1 (0.54) RAB9ANPC1ARCYP3A4KMT2A
SCHEMBL20250404 0.90 MEN1 (0.54) RAB9ANPC1ARCYP3A4KMT2A
SCHEMBL30595380 0.90 MEN1 (0.54) RAB9ANPC1ARCYP3A4KMT2A
SCHEMBL20250342 0.90 MEN1 (0.54) RAB9ANPC1ARCYP3A4KMT2A
SCHEMBL10032304 0.88 MEN1 (0.56) RAB9ANPC1ARCYP1A2CYP3A4
SCHEMBL30870479 0.88 MEN1 (0.56) RAB9ANPC1ARCYP1A2CYP3A4
SCHEMBL30870477 0.88 MEN1 (0.56) RAB9ANPC1ARCYP1A2CYP3A4
SCHEMBL24454281 0.87 AR (0.57) NOTUMRAB9ANPC1ARCYP1A2
SCHEMBL22282106 0.87 AR (0.60) NOTUMRAB9ANPC1ARCYP1A2
Hydrochloric Acid SCHEMBL4387023 0.86 RAB9A (0.54) RAB9ANPC1ARCYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed