SCHEMBL7455583

SCHEMBL7455583

Nc1ccc(NCCC(O)CO)c(-c2ccsc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.38
CYP2A6 P11509 1/20 0.32
EEF2K O00418 1/20 0.31
DYRK3 O43781 1/20 0.31
JAK2 O60674 1/20 0.31
RPS6KA5 O75582 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
CDK1 P06493 1/20 0.31
PIM1 P11309 1/20 0.31
CLK2 P49760 1/20 0.31
CDK5 Q00535 1/20 0.31
CAMK2B Q13554 1/20 0.31
CAMK2G Q13555 1/20 0.31
CAMK2D Q13557 1/20 0.31
DYRK1A Q13627 1/20 0.31
PKN2 Q16513 1/20 0.31
PIM3 Q86V86 1/20 0.31
MINK1 Q8N4C8 1/20 0.31
BRSK1 Q8TDC3 1/20 0.31

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
SCHEMBL7459990 0.88 IMPDH2 (0.39) IMPDH2CYP2A6TDO2KCNH2CHEK1
Hydrochloric Acid SCHEMBL7461434 0.86 IMPDH2 (0.39) IMPDH2CYP2A6TDO2KCNH2CHEK1
SCHEMBL7454443 0.84 IMPDH2 (0.43) IMPDH2CYP2A6EEF2KDYRK3JAK2
Hydrochloric Acid SCHEMBL7458000 0.83 IMPDH2 (0.42) IMPDH2CYP2A6EEF2KDYRK3JAK2
SCHEMBL7460878 0.82 IMPDH2 (0.41) IMPDH2CYP2A6EEF2KDYRK3JAK2
SCHEMBL7461288 0.78 KCNH2 (0.36) IMPDH2CYP2A6EEF2KDYRK3JAK2
SCHEMBL7807615 0.78 ADORA1 (0.32) TDO2MAPTHSD17B10
SCHEMBL7461982 0.78
SCHEMBL7459480 0.78 CSNK2A1 (0.31)
SCHEMBL7459389 0.76

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