SCHEMBL7465711

SCHEMBL7465711

COCCNc1ccc(N)cc1-c1ccoc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
USP2 O75604 3/20 0.45
CYP1A2 P05177 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGER4 P35408 3/20 0.44
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
NCF1 P14598 2/20 0.38
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.34
HCAR3 P49019 1/20 0.33
FYN P06241 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CSNK2A1 P68400 1/20 0.33
HDAC1 Q13547 1/20 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
SCHEMBL7461915 0.92 PTGER4 (0.43) ALDH1A1USP2CYP1A2MEN1KMT2A
SCHEMBL6572456 0.83 PTGER4 (0.50) ALDH1A1USP2CYP1A2MEN1KMT2A
SCHEMBL6572005 0.83 PTGER4 (0.50) ALDH1A1CYP1A2CLK4HSD17B10PTGER4
SCHEMBL7460535 0.82 CSNK2A1 (0.35) ALDH1A1CYP1A2KMT2ACLK4HSD17B10
SCHEMBL6572960 0.81 PTGER4 (0.51) ALDH1A1CYP1A2PTGER4CYP3A4TSHR
SCHEMBL6570689 0.81 PTGER4 (0.48) ALDH1A1PTGER4NCF1MAPTLMNA
SCHEMBL7459374 0.80 PRSS1 (0.35) ALDH1A1HSD17B10TSHRMAPTKDM4E
Hydrochloric Acid SCHEMBL6572054 0.80 PTGER4 (0.50) ALDH1A1CYP1A2PTGER4CYP3A4TSHR
SCHEMBL6570713 0.80 PTGER4 (0.47) ALDH1A1CYP1A2CLK4HSD17B10PTGER4
SCHEMBL6572731 0.78 PTGER4 (0.46) ALDH1A1KMT2AHSD17B10PTGER4CYP3A4

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