SCHEMBL6586116

SCHEMBL6586116

C#CCN(Cc1cc2c(=O)n(CCN(C)C)c(CN3CCCCC3)nc2cc1Cl)c1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.54
ALDH1A1 P00352 1/20 0.38
GLP1R P43220 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6583141 0.91 NAMPT (0.51) NAMPTALDH1A1GLP1RSMN1; SMN2
SCHEMBL6580507 0.90 NAMPT (0.65) NAMPTSMN1; SMN2POLB
SCHEMBL6790569 0.89 NAMPT (0.66) NAMPTALDH1A1
SCHEMBL6582111 0.88 NAMPT (0.54) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6582624 0.88 NAMPT (0.52) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6582965 0.87 NAMPT (0.52) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6902914 0.84 NAMPT (0.73) NAMPT
SCHEMBL6583938 0.84 NAMPT (0.67) NAMPT
SCHEMBL6583098 0.82 NAMPT (0.66) NAMPT
SCHEMBL6582182 0.82 NAMPT (0.63) NAMPT

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
EP-1155012-B1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER REC TECH LTD (GB) 2004-04-14 EP disclosed
US-6699861-B1 ANTI-CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-02 US disclosed