SCHEMBL7800944

SCHEMBL7800944

CNc1cc(N)cc(-c2ccco2)c1CCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.37
ADORA1 P30542 3/20 0.37
CFTR P13569 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
RECQL P46063 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
POLB P06746 3/20 0.34
MAPT P10636 3/20 0.34
BLM P54132 2/20 0.34
APAF1 O14727 1/20 0.34
THRB P10828 1/20 0.34
PABPC1 P11940 1/20 0.34
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL7805969 0.85 ADORA2A (0.39) ADORA2AADORA1CFTRMEN1KMT2A
SCHEMBL7800814 0.78 ADORA2A (0.36) ADORA2AADORA1CFTRMEN1KMT2A
SCHEMBL7461930 0.78 MEN1 (0.34) MEN1KMT2AALDH1A1HSD17B10TSHR
SCHEMBL7800693 0.76 ADORA2A (0.36) ADORA2AADORA1CFTRMEN1KMT2A
SCHEMBL7808831 0.75 ADRA1D (0.31)
SCHEMBL7809834 0.75
SCHEMBL7459145 0.72 CYP2A6 (0.35) MEN1KMT2AMAPTPRMT6ALOX15
SCHEMBL7458230 0.72 CYP1A2 (0.31)
SCHEMBL7805952 0.72 TAAR1 (0.46) ADORA2AADORA1CFTRMEN1KMT2A
SCHEMBL7807487 0.72 POLB (0.44) ADORA2AADORA1CFTRMEN1KMT2A

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