SCHEMBL18174680

SCHEMBL18174680

Cc1ccnc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(C)nc5)cc4)c4ccccc34)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
ABL1 P00519 5/20 0.39
BCR P11274 5/20 0.39
METAP2 P50579 1/20 0.37
TGFBR1 P36897 1/20 0.36
UHRF1 Q96T88 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
WNT3A P56704 1/20 0.36
HPGDS O60760 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SYK P43405 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
SCHEMBL18174555 0.88 CCR1 (0.55) CYP2A6CCR1CCR5CCR8ABL1
SCHEMBL18174655 0.84 DYRK1A (0.45) CYP2A6CCR1CCR5CCR8UHRF1
SCHEMBL18174690 0.84 CYP2A6 (0.44) CYP2A6CCR1CCR5CCR8KDM4E
SCHEMBL17532877 0.83 NPC1 (0.44) CYP2A6ABL1BCRWNT3AHPGDS
SCHEMBL15160976 0.82 CYP2A6 (0.52) CYP2A6CCR1CCR5CCR8ABL1
SCHEMBL3423365 0.82 CYP2A6 (0.66) CYP2A6CCR1CCR5CCR8ABL1
SCHEMBL15977629 0.82 CYP2A6 (0.48) CYP2A6CCR1CCR5CCR8ABL1
SCHEMBL15160984 0.82 CYP2A6 (0.48) CYP2A6CCR1CCR5CCR8ABL1
SCHEMBL15161088 0.82 CYP2A6 (0.63) CYP2A6CCR1CCR5CCR8ABL1
SCHEMBL18174687 0.81 WNT3A (0.51) WNT3A

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