SCHEMBL9158932

SCHEMBL9158932

Cc1ccc2c(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6cccc7cc(C)ccc67)cc5)cc4)cc3)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2A6 P11509 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
SIGMAR1 Q99720 3/20 0.36
MAOA P21397 1/20 0.36
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
KDM1A O60341 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL9156561 1.00 CYP1A2 (0.46) CYP1A2CYP2A6TDP1SIGMAR1MAOA
SCHEMBL21975309 0.97 CYP1A2 (0.44) CYP1A2CYP2A6TDP1SIGMAR1MAOA
SCHEMBL17051488 0.96 CYP1A2 (0.42) CYP1A2CYP2A6TDP1SIGMAR1MAOA
SCHEMBL9161681 0.96 CYP1A2 (0.42) CYP1A2CYP2A6TDP1SIGMAR1MAOA
SCHEMBL9164378 0.95 CYP1A2 (0.50) CYP1A2CYP2A6TDP1SIGMAR1MAOA
SCHEMBL10592589 0.94 CYP1A2 (0.41) CYP1A2CYP2A6TDP1SIGMAR1MAOA
SCHEMBL27101518 0.94 CYP1A2 (0.52) CYP1A2CYP2A6TDP1SIGMAR1MAOA
SCHEMBL9163237 0.93 CYP1A2 (0.45) CYP1A2CYP2A6TDP1SIGMAR1ALDH1A1
SCHEMBL9175156 0.92 CYP1A2 (0.47) CYP1A2CYP2A6TDP1SIGMAR1MAOA
SCHEMBL9160612 0.92 CYP1A2 (0.50) CYP1A2CYP2A6TDP1SIGMAR1MAOA

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 3 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