SCHEMBL7460770

SCHEMBL7460770

Nc1ccc(N(CCO)CCO)c(-c2ccsc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.43
CYP2A6 P11509 1/20 0.35
KCNH2 Q12809 1/20 0.35
TDO2 P48775 1/20 0.35
MAPT P10636 2/20 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
HSD17B10 Q99714 1/20 0.33
CHEK2 O96017 5/20 0.33
CHEK1 O14757 1/20 0.33
BACE1 P56817 1/20 0.33
IKBKB O14920 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTR1D P28221 1/20 0.31
HTR2B P41595 1/20 0.31
HTR3A P46098 1/20 0.31
HTR5A P47898 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
Hydrochloric Acid SCHEMBL7455613 0.99 IMPDH2 (0.42) IMPDH2CYP2A6KCNH2TDO2MAPT
SCHEMBL7460881 0.86 IMPDH2 (0.41) IMPDH2CYP2A6KCNH2TDO2MAPT
SCHEMBL6570840 0.83 ALDH1A1 (0.36) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL7461528 0.82 IMPDH2 (0.40) IMPDH2CYP2A6KCNH2TDO2MAPT
SCHEMBL7461381 0.81 IMPDH2 (0.39) IMPDH2CYP2A6KCNH2TDO2MAPT
SCHEMBL7086041 0.81 IMPDH2 (0.41) IMPDH2MAPTMEN1KMT2ACHEK2
SCHEMBL6571885 0.80 ALDH1A1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL7456014 0.80 CYP2A6 (0.39) IMPDH2CYP2A6KCNH2TDO2MAPT
SCHEMBL7457589 0.80 KCNH2 (0.36) IMPDH2CYP2A6KCNH2TDO2MAPT
SCHEMBL6571486 0.79 USP7 (0.40) MAPTMEN1ALOX15KMT2AHSD17B10

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