SCHEMBL8622919

SCHEMBL8622919

CN(C)c1ccc(-c2cc(-c3cc4c5c(c3)CCCN5CCC4)cc(-c3ccc(N(C)C)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
ABCB1 P08183 1/20 0.42
CYP3A4 P08684 2/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APP P05067 7/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL8621175 0.82 MAPT (0.43) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL8618393 0.81 DHODH (0.44) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL10105429 0.76 KMT2A (0.50) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL13592780 0.75 KMT2A (0.53) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL8618775 0.75 MAPT (0.54) ALDH1A1HSD17B10KDM4EMAPTTSHR
SCHEMBL14366798 0.75 KMT2A (0.53) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL14366800 0.75 RAD52 (0.39) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL8621124 0.74 AHR (0.51) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL8615949 0.74 TERT (0.40) ALDH1A1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL11223239 0.73 KMT2A (0.59) ALDH1A1HSD17B10KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659582-B1 Reversible thermochromic composition PILOT INK CO LTD (JP) 1998-05-13 EP disclosed
US-5558700-A QUINAZOLENE OR PYRIDINE ELECTRON DONOR, ELECTRON ACCEPTOR THE PILOT INK CO., LTD. (JP) 1996-09-24 US disclosed
EP-0659582-A1 Reversible thermochromic composition THE PILOT INK CO., LTD. (JP) 1995-06-28 EP disclosed
US-4446321-A COLOR FORMERS, CARBON-FREE DUPLICATION STERLING DRUG INC. (US) 1984-05-01 US disclosed
US-4363503-A FOR PRESSURE SENSITIVE CARBONLESS DUPLICATING AND THERMAL MARKING SYSTEMS STERLING DRUG INC. (US) 1982-12-14 US disclosed