SCHEMBL7657968

SCHEMBL7657968

CCNCCN1CCNC1=C(C#N)C#N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 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
SCHEMBL9219515 0.79 SCN9A (0.32) KMT2ARAB9A
SCHEMBL4387644 0.78 HRH3 (0.34) ALDH1A1
SCHEMBL7656144 0.76 HRH3 (0.33) ALDH1A1
SCHEMBL9215512 0.76 LMNA (0.32) RAB9AALDH1A1
SCHEMBL9852543 0.75 SCN9A (0.30)
SCHEMBL4394520 0.75 HRH3 (0.37) KMT2AMEN1ALDH1A1
SCHEMBL9219620 0.75 ACHE (0.34)
SCHEMBL9216873 0.75 CHRM2 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL6284635 0.73 KMT2A (0.49) KMT2ARAB9AMEN1ALDH1A1
SCHEMBL9217125 0.72 ACHE (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002085861-A1 IMIDAZOLIDINE COMPOUNDS AND THEIR USE AS CXCR3 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-31 WO disclosed
US-6469002-B1 COMPOUNDS WHICH MODULATE CHEMOKINE RECEPTOR ACTIVITY AND ARE USEFUL IN TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. 2002-10-22 US disclosed