SCHEMBL9160612

SCHEMBL9160612

Cc1ccc2c(N(c3ccc(-c4ccc(N(c5cccc6cc(C)ccc56)c5cccc6cc(C)ccc56)cc4)cc3)c3cccc4cc(C)ccc34)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.50
CYP2A6 P11509 5/20 0.42
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CRHR1 P34998 1/20 0.33
MAOA P21397 1/20 0.33
DHODH Q02127 1/20 0.32
TLR8 Q9NR97 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL9158578 0.95 CYP1A2 (0.46) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL9159694 0.95 CYP1A2 (0.46) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL9165543 0.95 CYP1A2 (0.46) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL9158932 0.92 CYP1A2 (0.46) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL9156561 0.92 CYP1A2 (0.46) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL9163237 0.91 CYP1A2 (0.45) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL9160561 0.90 CYP1A2 (0.50) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL9158681 0.90 CYP1A2 (0.50) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL21975309 0.90 CYP1A2 (0.44) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL9161681 0.88 CYP1A2 (0.42) CYP1A2CYP2A6TDP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390196-B1 Electrophotosensitive material MITA INDUSTRIAL CO LTD (JP) 1995-09-20 EP disclosed
EP-0314195-B1 Electrophotographic sensitive material MITA INDUSTRIAL CO LTD (JP) 1995-03-22 EP disclosed
US-5059503-A Used for copying machine MITA INDUSTRIAL CO., LTD. (JP) 1991-10-22 US disclosed
EP-0390196-A2 Electrophotosensitive material MITA INDUSTRIAL CO., LTD. (JP) 1990-10-03 EP disclosed
US-4877702-A PERYLENE TYPE ELECTRIC CHARGE GENERATING SUBSTANCE AND DIAMINE DERIVATIVE AS ELECTRIC CHARGE TRANSFERRING SUBSTANCE MITA INDUSTRIAL CO., LTD. (JP) 1989-10-31 US disclosed
EP-0314195-A2 Electrophotographic sensitive material MITA INDUSTRIAL CO. LTD. (JP) 1989-05-03 EP disclosed