SCHEMBL9514537

SCHEMBL9514537

c1ccc(CN(Cc2ccccc2)c2ccc(Nc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.62
TSHR P16473 4/20 0.53
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
CNR2 P34972 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGES O14684 1/20 0.46
NR3C1 P04150 2/20 0.45
CYP2D6 P10635 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45

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
SCHEMBL9483764 0.98 CYP2C19 (0.60) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL9512976 0.87 TSHR (0.70) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL2960872 0.87 CYP2C19 (0.78) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL43183 0.82 TSHR (0.74) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL2011193 0.80 CYP2C19 (0.69) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL7154167 0.80 CYP2C19 (0.69) CYP2C19TSHRNR1H2NR1H3CNR2
Hydrochloric Acid SCHEMBL2139953 0.80 TSHR (0.71) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL355040 0.80 TSHR (0.71) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL10763738 0.78 CYP2C19 (0.67) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL4407604 0.78 CYP2C19 (0.67) CYP2C19TSHRNR1H2NR1H3CNR2

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-0273418-B1 Heat-sensitive recording material using chromeno compound KANZAKI PAPER MFG CO LTD (JP) 1993-11-24 EP disclosed
US-4803193-A COLORFASTNESS; READABLE BY OPTICAL CHARACTER-READING DEVICES KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1989-02-07 US disclosed
EP-0273418-A2 Heat-sensitive recording material using chromeno compound KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-07-06 EP disclosed