SCHEMBL10696020

SCHEMBL10696020

COC(=O)CC(c1ccccc1)C(C#N)c1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.46
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EEF2K O00418 1/20 0.38
MAPT P10636 1/20 0.37
ALPG P10696 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL10695685 0.91 KCNA5 (0.45) KCNA5KMT2AALDH1A1HTTLMNA
SCHEMBL10695903 0.88 KCNA5 (0.53) KCNA5KMT2AALDH1A1HTTHPGD
SCHEMBL10179847 0.87 KCNA5 (0.40) KCNA5KMT2AALDH1A1HPGDNPSR1
SCHEMBL10179071 0.87 KCNA5 (0.40) KCNA5KMT2AALDH1A1HTTMAPT
SCHEMBL10695128 0.86 KCNA5 (0.41) KCNA5KMT2AALDH1A1HTTMAPT
SCHEMBL10697424 0.85 KCNA5 (0.44) KCNA5KMT2AALDH1A1HTTLMNA
SCHEMBL10451133 0.85 KMT2A (0.49) KCNA5KMT2AALDH1A1HTTLMNA
SCHEMBL10180246 0.84 KCNA5 (0.38) KCNA5KMT2AALDH1A1HTTLMNA
SCHEMBL10451128 0.83 KMT2A (0.46) KCNA5KMT2AALDH1A1HTTLMNA
SCHEMBL10697346 0.82 KMT2A (0.42) KCNA5KMT2AALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270830-A1 Method for regulating plant growth using polysubstituted butyric acids, esters and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1988-06-15 EP claimed