SCHEMBL12377627

SCHEMBL12377627

CN(C=C(c1ccccc1)c1ccccc1)CN(C)C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 2/20 0.38
HIF1A Q16665 1/20 0.38
RECQL P46063 1/20 0.38
CYP2D6 P10635 1/20 0.38
EGFR P00533 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35

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
SCHEMBL28081835 0.79 RECQL (0.47) ALDH1A1MAPTSIGMAR1MTNR1AMTNR1B
SCHEMBL12422795 0.74 ALDH1A1 (0.40) ALDH1A1MAPTSIGMAR1MTNR1AMTNR1B
SCHEMBL12377595 0.74 MTNR1A (0.34) ALDH1A1MAPTSIGMAR1MTNR1AMTNR1B
SCHEMBL28005546 0.71 SIGMAR1 (0.38) ALDH1A1MAPTSIGMAR1MTNR1AMTNR1B
SCHEMBL28005171 0.70 CYP3A4 (0.55) HIF1ACYP2D6HPGDCYP1A2CYP2C9
SCHEMBL28005578 0.69 AOC3 (0.41) ALDH1A1MAPTSIGMAR1MTNR1AMTNR1B
SCHEMBL3966094 0.68 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ARAB9ANPC1
SCHEMBL12377628 0.68 ALDH1A1 (0.36) ALDH1A1MAPTSIGMAR1MTNR1AMTNR1B
SCHEMBL12422791 0.68 G6PC1 (0.43) ALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL496557 0.68 ALDH1A1 (0.44) ALDH1A1MAPTMTNR1AMTNR1BKMT2A

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-8003287-B2 Low temperature charge transportability and potential, sensitivity and photoresponsiveness; durability SHARP KABUSHIKI KAISHA (JP) 2011-08-23 US disclosed
US-20080166642-A1 Electrophotographic photoconductor and image-forming apparatus SHARP KABUSHIKI KAISHA (JP) 2008-07-10 US disclosed