SCHEMBL7808246

SCHEMBL7808246

NC1C=CC(Cl)(N(CCO)CCO)C=C1c1ccco1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7807684 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7458030 0.78
SCHEMBL7812163 0.77
SCHEMBL7808544 0.75
SCHEMBL7459471 0.74
SCHEMBL7454062 0.74
SCHEMBL7805947 0.74 CHRM2 (0.34) ALDH1A1
SCHEMBL7809807 0.70 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7805935 0.68 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7461213 0.60

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