SCHEMBL11294271

SCHEMBL11294271

CCCCCCCCCC1CC=CCCC=CCC(CCCCCCCCC)N=N1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.34
SCN2A Q99250 2/20 0.32
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
SLC22A1 O15245 1/20 0.30
ALOX5 P09917 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
SCHEMBL11347950 1.00 ALDH1A1 (0.36) ALDH1A1EPHX1SCN2ATSHRTHRB
SCHEMBL11294267 1.00 ALDH1A1 (0.36) ALDH1A1EPHX1SCN2ATSHRTHRB
SCHEMBL11776686 1.00 ALDH1A1 (0.36) ALDH1A1EPHX1SCN2ATSHRTHRB
SCHEMBL11605181 1.00 ALDH1A1 (0.36) ALDH1A1EPHX1SCN2ATSHRTHRB
SCHEMBL11297716 1.00 ALDH1A1 (0.36) ALDH1A1EPHX1SCN2ATSHRTHRB
SCHEMBL11426867 1.00 ALDH1A1 (0.36) ALDH1A1EPHX1SCN2ATSHRTHRB
SCHEMBL11605183 1.00 ALDH1A1 (0.36) ALDH1A1EPHX1SCN2ATSHRTHRB
SCHEMBL11297718 1.00 ALDH1A1 (0.36) ALDH1A1EPHX1SCN2ATSHRTHRB
SCHEMBL11426866 1.00 ALDH1A1 (0.36) ALDH1A1EPHX1SCN2ATSHRTHRB
SCHEMBL11347934 1.00 ALDH1A1 (0.36) ALDH1A1EPHX1SCN2ATSHRTHRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017611-B1 METHOD OF COMBATING PESTS AND MEANS THEREFOR CIBA-GEIGY AG (CH) 1982-06-23 EP disclosed
US-4304590-A WATER TREATMENT CIBA-GEIGY CORPORATION (US) 1981-12-08 US disclosed
EP-0017611-A1 Method of combating pests and means therefor CIBA-GEIGY AG (CH) 1980-10-15 EP disclosed
US-4210743-A Transparent polyamides from branched chain diamines CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed
US-4195165-A TRANSPARENT OR CRYSTALLINE MOLDING MATERIALS, NONHYDROLYZING, FILAMENTS CIBA-GEIGY CORPORATION (US) 1980-03-25 US disclosed