SCHEMBL7807699

SCHEMBL7807699

Cn1cccc1-c1cc(N)cc(Cl)c1N(CCO)CCO

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MCL1 Q07820 1/20 0.30
ALOX15 P16050 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7805906 0.87 MAPK1 (0.30)
SCHEMBL7808559 0.78 MEN1 (0.31) ADRA1DADRA1AMEN1KMT2A
SCHEMBL7800650 0.78 CRHR1 (0.32) RORCMAPTGAAPKMHTT
SCHEMBL7809608 0.78 MAPT (0.38) RORCMAPTGAAPKMHTT
SCHEMBL7808527 0.78 CRHR1 (0.32) RORCMAPTGAAPKMHTT
SCHEMBL7466921 0.78 PIK3CD (0.32)
SCHEMBL7808458 0.75 CYP3A4 (0.42) RORCADRA1DADRA1AMAPTGAA
SCHEMBL7808513 0.73 MAPT (0.35) ADRA1DADRA1AMAPTGAAPKM
SCHEMBL7807391 0.73 ALDH1A1 (0.34) ADRA1DADRA1AMAPTGAAHTT
SCHEMBL7461140 0.72 STK4 (0.30)

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-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed