SCHEMBL18174615

SCHEMBL18174615

Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(C)n5)cc4)c4cc(-c5cccc(-c6ccccc6)c5)ccc34)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA1 P30542 6/20 0.40
ADORA2A P29274 4/20 0.40
TGFBR1 P36897 5/20 0.40
GRM5 P41594 1/20 0.37
ACP1 P24666 1/20 0.37

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
SCHEMBL18174616 0.99 CCR1 (0.43) CYP2A6CCR1CCR8MEN1RAB9A
SCHEMBL18174578 0.99 CCR1 (0.43) CYP2A6CCR1CCR8MEN1RAB9A
SCHEMBL15977773 0.99 CCR1 (0.43) CYP2A6CCR1CCR8MEN1RAB9A
SCHEMBL15161008 0.94 TGFBR1 (0.43) CYP2A6CCR1CCR8MEN1RAB9A
SCHEMBL10300891 0.93 CCR1 (0.46) CYP2A6CCR1CCR8MEN1RAB9A
SCHEMBL24813341 0.91 CCR1 (0.44) CYP2A6CCR1CCR8MEN1RAB9A
SCHEMBL10032678 0.89 CYP2A6 (0.42) CYP2A6CCR1CCR8MEN1RAB9A
SCHEMBL17532878 0.88 CCR1 (0.47) CYP2A6CCR1CCR8MEN1RAB9A
SCHEMBL10300922 0.88 MEN1 (0.55) MEN1RAB9AKMT2A
SCHEMBL18174599 0.87 CCR1 (0.41) CYP2A6CCR1CCR8TGFBR1ACP1

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-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed