SCHEMBL8640163

SCHEMBL8640163

C#CCNCCCNCC=CCNCCCNCC=C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.48
KDM1A O60341 5/20 0.47
PAOX Q6QHF9 2/20 0.33
SMOX Q9NWM0 1/20 0.32
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL8640159 1.00 SAT1 (0.48) SAT1KDM1APAOXSMOXCNR1
Hydrochloric Acid SCHEMBL8644883 0.98 KDM1A (0.48) SAT1KDM1APAOXSMOX
Hydrochloric Acid SCHEMBL8644879 0.98 KDM1A (0.48) SAT1KDM1APAOXSMOX
SCHEMBL8640285 0.90 SAT1 (0.58) SAT1KDM1APAOXSMOX
SCHEMBL8640277 0.90 SAT1 (0.58) SAT1KDM1APAOXSMOX
Hydrochloric Acid SCHEMBL8640406 0.88 KDM1A (0.58) SAT1KDM1APAOXSMOX
Hydrochloric Acid SCHEMBL8640409 0.88 KDM1A (0.58) SAT1KDM1APAOXSMOX
SCHEMBL8638101 0.83 KDM1A (0.56) KDM1APAOXSMOXCNR1CNR2
SCHEMBL8638098 0.83 KDM1A (0.56) KDM1APAOXSMOXCNR1CNR2
Hydrochloric Acid SCHEMBL8638114 0.81 KDM1A (0.58) KDM1APAOXSMOXCNR1CNR2

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-0686143-B1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT CIBA GEIGY AG (CH) 1998-08-12 EP claimed
EP-0686143-A1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT Novartis AG (CH) 1995-12-13 EP claimed
WO-1995018091-A1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT CIBA-GEIGY AG (CH) 1995-07-06 WO claimed