SCHEMBL3420482

SCHEMBL3420482

CCCN(CCC)c1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.62
CYP3A4 P08684 4/20 0.62
CYP2D6 P10635 3/20 0.62
CYP2C9 P11712 3/20 0.62
CYP2C19 P33261 3/20 0.62
HSD17B10 Q99714 3/20 0.62
HIF1A Q16665 1/20 0.51
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
SRD5A2 P31213 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL3419436 0.87 CYP1A2 (0.66) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30572821 0.84 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29068486 0.84 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30572829 0.84 CYP3A4 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30572831 0.83 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29068501 0.83 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3982970 0.83 RAB9A (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9097741 0.80 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL175636 0.80 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30194823 0.80 HSD17B10 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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
EP-2223985-B1 ORDINARY-TEMPERATURE-PHOSPHORESCENT ORGANIC MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM, AND METHOD OF RECORDING IN REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM UNIV TOKYO NAT UNIV CORP (JP) 2013-07-31 EP disclosed
US-8243113-B2 Ordinary-temperature-phosphorescent organic material, reversibly thermosensitive recording material, reversibly thermosensitive recording medium, and method of recording in reversibly thermosensitive recording medium NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2012-08-14 US disclosed
US-20100328412-A1 ORDINARY-TEMPERATURE-PHOSPHORESCENT ORGANIC MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM, AND METHOD OF RECORDING IN REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2010-12-30 US disclosed
EP-2223985-A1 ORDINARY-TEMPERATURE-PHOSPHORESCENT ORGANIC MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM, AND METHOD OF RECORDING IN REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM National University Corporation Tokyo University of Agriculture and Technology (JP) 2010-09-01 EP disclosed