SCHEMBL7809772

SCHEMBL7809772

Nc1ccc(N(CCO)CCO)cc1-c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.39
ADORA1 P30542 5/20 0.39
CFTR P13569 4/20 0.39
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 3/20 0.35
BLM P54132 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMARCA2 P51531 1/20 0.35

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
SCHEMBL7812056 0.86 CFTR (0.39) ADORA2AADORA1CFTRMAPTKMT2A
SCHEMBL7807525 0.82 ADORA2A (0.41) ADORA2AADORA1CFTRMAPTKMT2A
SCHEMBL7808476 0.81 CFTR (0.36) ADORA2AADORA1CFTRMAPTKMT2A
SCHEMBL7807486 0.81 S100B (0.36) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL7807613 0.80 MAPT (0.36) ADORA2AADORA1CFTRMAPTKMT2A
SCHEMBL7805928 0.80 KMT2A (0.39) ADORA2AADORA1CFTRMAPTKMT2A
SCHEMBL6570961 0.77 ALDH1A1 (0.43) MAPTKMT2AMEN1GAABLM
SCHEMBL7809836 0.77 CFTR (0.42) ADORA2AADORA1CFTRMAPTKMT2A
SCHEMBL6571445 0.77 KMT2A (0.43) MAPTKMT2AMEN1GAABLM
SCHEMBL7464284 0.77 S100B (0.37) MAPTKMT2AMEN1GAAKDM4E

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