SCHEMBL7466260

SCHEMBL7466260

Nc1ccc(NCCO)cc1-c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.42
DYRK3 O43781 1/20 0.42
JAK2 O60674 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
CLK2 P49760 1/20 0.42
CDK5 Q00535 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
DYRK1A Q13627 1/20 0.42
PKN2 Q16513 1/20 0.42
PIM3 Q86V86 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
BRSK1 Q8TDC3 1/20 0.42
AURKB Q96GD4 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42

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
SCHEMBL7456314 0.92 KCNH2 (0.40) EEF2KDYRK3JAK2RPS6KA5PRKD3
SCHEMBL7461288 0.84 KCNH2 (0.36) EEF2KDYRK3JAK2RPS6KA5PRKD3
SCHEMBL7461193 0.82 FYN (0.42) KCNH2HDAC1HDAC2CYP2A6TDO2
SCHEMBL7456840 0.81 KCNH2 (0.38) EEF2KDYRK3JAK2RPS6KA5PRKD3
SCHEMBL6572585 0.80 ALDH1A1 (0.42) MAP4K4MINK1CLK4ALDH1A1MEN1
SCHEMBL6572728 0.80 FCGR3B (0.38) DYRK1AHDAC1HDAC2TDO2IKBKB
SCHEMBL7462786 0.80 HDAC1 (0.39) DYRK1AKCNH2HDAC1HDAC2CYP2A6
SCHEMBL6571323 0.79 ALDH1A1 (0.35) JAK2AURKBMAPTALDH1A1MEN1
SCHEMBL6572942 0.79 APP (0.41) MAPTALDH1A1MEN1ALOX15KMT2A
SCHEMBL6574702 0.78 ABL1 (0.36) JAK2AURKBALDH1A1MEN1ALOX15

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