SCHEMBL7466630

SCHEMBL7466630

Cc1cc(-c2cc(N)ccc2N(CCO)CCO)co1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL7459176 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7460481 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7459598 0.83
SCHEMBL7459378 0.82 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL6570740 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL6570840 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1GLACYP3A4
SCHEMBL7466681 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7805920 0.78 ALDH1A1 (0.32) ALDH1A1PDE10A
SCHEMBL6571885 0.78 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL7462605 0.78 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1LMNAKMT2A

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