SCHEMBL512533

SCHEMBL512533

Clc1cccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2cccc(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
TP53 P04637 2/20 0.40
PGR P06401 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL1702986 1.00 MAPT (0.44) MAPTALDH1A1CYP1A2TDP1L3MBTL1
SCHEMBL258156 1.00 MAPT (0.44) MAPTALDH1A1CYP1A2TDP1L3MBTL1
SCHEMBL12533861 0.98 CYP1A2 (0.46) MAPTALDH1A1CYP1A2TDP1L3MBTL1
SCHEMBL9581080 0.98 CYP1A2 (0.46) MAPTALDH1A1CYP1A2TDP1L3MBTL1
SCHEMBL20872019 0.98 CYP1A2 (0.46) MAPTALDH1A1CYP1A2TDP1L3MBTL1
SCHEMBL16858263 0.98 CYP1A2 (0.46) MAPTALDH1A1CYP1A2TDP1L3MBTL1
SCHEMBL19801911 0.96 CYP1A2 (0.45) MAPTALDH1A1CYP1A2TDP1L3MBTL1
SCHEMBL15713960 0.94 TAAR1 (0.44) MAPTALDH1A1CYP1A2TDP1L3MBTL1
SCHEMBL8100812 0.94 MAPT (0.48) MAPTALDH1A1CYP1A2TDP1L3MBTL1
SCHEMBL9321690 0.92 MAPT (0.50) MAPTALDH1A1CYP1A2TDP1L3MBTL1

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-20120028180-A1 SPIRODILACTAM POLYCARBONATE CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2012-02-02 US disclosed
US-7622231-B2 Imaging members containing intermixed polymer charge transport component layer XEROX CORPORATION (US) 2009-11-24 US disclosed
US-7534536-B2 Photoconductor containing substrate, undercoat layer thereover comprising polyol resin, aminoplast resin, polyarylate, siloxane modified polyarylate, epoxy modified polyarylate, or urethane modified polyarylate, or amine modified polyarylate, metal oxide, photogenerating layer, and charge transport layer XEROX CORPORATION (US) 2009-05-19 US disclosed
US-20080057426-A1 Photoconductors XEROX CORPORATION 2008-03-06 US disclosed