SCHEMBL10654486

SCHEMBL10654486

O=C(O)c1cccnc1C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.59
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
AGER Q15109 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 1/20 0.49
PBRM1 Q86U86 1/20 0.49
ATM Q13315 1/20 0.49
PIM1 P11309 1/20 0.48
KDR P35968 2/20 0.47
NR4A2 P43354 2/20 0.47
ADAM17 P78536 1/20 0.47
AHR P35869 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL28204348 0.89 GPR84 (0.64) GPR84ALDH1A1NPSR1KDM4EMAPT
SCHEMBL10656794 0.89 GPR84 (0.64) GPR84ALDH1A1NPSR1KDM4ECYP3A4
SCHEMBL9208355 0.81 GPR84 (0.79) GPR84ALDH1A1NPSR1KDM4EMAPK1
SCHEMBL64182 0.80 GPR84 (0.77) GPR84ALDH1A1KDM4EMAPK1PBRM1
SCHEMBL21438815 0.79 GPR84 (0.71) GPR84ALDH1A1NPSR1KDM4EMAPT
SCHEMBL7370739 0.79 GPR84 (0.66) GPR84ALDH1A1NPSR1KDM4EMAPT
Hydrochloric Acid SCHEMBL7437913 0.78 GPR84 (0.74) GPR84ALDH1A1KDM4EMAPK1PBRM1
Ammonia Solution, Strong SCHEMBL27380523 0.78 GPR84 (0.74) GPR84ALDH1A1KDM4EMAPK1PBRM1
Hydrochloric Acid SCHEMBL29435427 0.78 GPR84 (0.74) GPR84ALDH1A1KDM4EMAPK1PBRM1
Hydrochloric Acid SCHEMBL28246505 0.78 GPR84 (0.74) GPR84ALDH1A1KDM4EMAPK1PBRM1

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-4788285-A COLOR FORMERS IN IMAGER TRANSFERRING, CARBONLESS COPYING, THERMAL RESPONISVE MARKING HILTON DAVID CHEMICAL CO. 1988-11-29 US disclosed
US-4736027-A COLOR FORMING HILTON DAVIS CHEMICAL CO. (US) 1988-04-05 US disclosed
US-4660060-A COLOR-FORMING FOR TRANSFER IMAGING; XEROGRAPHY THE HILTON-DAVIS CHEMICAL CO. (US) 1987-04-21 US disclosed
EP-0206114-A2 Novel substituted phthalides and furopyridinones, preparation thereof and use thereof as color formers HILTON-DAVIS CHEMICAL CO. (US) 1986-12-30 EP disclosed