SCHEMBL15977629

SCHEMBL15977629

Cc1ccnc(-c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
ASIC3 Q9UHC3 1/20 0.41
MAP4K4 O95819 2/20 0.39
TGFBR1 P36897 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
ROCK1 Q13464 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
MEN1 O00255 3/20 0.38

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
SCHEMBL15160984 1.00 CYP2A6 (0.48) CYP2A6CCR1CCR5CCR8ASIC3
SCHEMBL18174592 0.97 CYP2A6 (0.46) CYP2A6CCR1CCR5CCR8ASIC3
SCHEMBL18174674 0.97 CYP2A6 (0.46) CYP2A6CCR1CCR5CCR8ASIC3
SCHEMBL10300894 0.94 CYP2A6 (0.50) CYP2A6CCR1CCR5CCR8ASIC3
SCHEMBL18174580 0.92 CYP2A6 (0.46) CYP2A6CCR1CCR5CCR8ASIC3
SCHEMBL18174555 0.89 CCR1 (0.55) CYP2A6CCR1CCR5CCR8ASIC3
SCHEMBL10032684 0.89 CYP2A6 (0.46) CYP2A6CCR1CCR5CCR8ASIC3
SCHEMBL10300923 0.88 ASIC3 (0.46) ASIC3MAP4K4TGFBR1PIK3CAALK
SCHEMBL15977471 0.88 ASIC3 (0.46) ASIC3MAP4K4TGFBR1PIK3CAALK
SCHEMBL18174595 0.88 CYP2A6 (0.41) CYP2A6CCR1CCR5CCR8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed