SCHEMBL7459097

SCHEMBL7459097

COCCCNc1ccc(N)cc1-c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.43
IMPDH2 P12268 1/20 0.39
IDH2 P48735 2/20 0.37
FYN P06241 1/20 0.36
CYP2A6 P11509 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
DYRK1A Q13627 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
NQO2 P16083 3/20 0.32

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
SCHEMBL7464825 0.92 PTGER4 (0.44) PTGER4IMPDH2IDH2FYNCYP2A6
Hydrochloric Acid SCHEMBL7460032 0.91 PTGER4 (0.43) PTGER4IMPDH2IDH2FYNCYP2A6
SCHEMBL7460878 0.83 IMPDH2 (0.41) IMPDH2CYP2A6ALDH1A1DYRK1A
SCHEMBL7454443 0.80 IMPDH2 (0.43) IMPDH2IDH2CYP2A6HSD17B10MAPT
Hydrochloric Acid SCHEMBL7458000 0.79 IMPDH2 (0.42) IMPDH2IDH2CYP2A6HSD17B10MAPT
SCHEMBL7458222 0.78 PTGER4 (0.43) PTGER4HSD17B10MAPTKDM4EALDH1A1
SCHEMBL7461915 0.78 PTGER4 (0.43) PTGER4FYNHSD17B10MAPTKDM4E
SCHEMBL7806017 0.78 GAA (0.41) PTGER4MAOBHSD17B10MAPTKDM4E
SCHEMBL7462786 0.78 HDAC1 (0.39) PTGER4IDH2FYNCYP2A6MAOB
SCHEMBL8071511 0.77 PTGER4 (0.42) PTGER4HSD17B10MAPTKDM4EALDH1A1

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-0963982-B1 New diaminobenzene derivatives and these componends containing colouring agents WELLA AG (DE) 2002-03-13 EP disclosed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP disclosed