SCHEMBL19102017

SCHEMBL19102017

CCC(C#N)C(=O)c1cc(C(=O)O)cn1CC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 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
SCHEMBL10939276 0.69 ALDH1A1 (0.47) MEN1KMT2A
SCHEMBL31468333 0.67 PGR (0.47) KMT2A
SCHEMBL29190982 0.67 GPR35 (0.37) MEN1KMT2APOLB
SCHEMBL6900293 0.66 L3MBTL1 (0.38) MEN1KMT2APOLB
SCHEMBL1607511 0.66 RAB9A (0.42) MEN1KMT2A
SCHEMBL2304428 0.65 GSK3B (0.56) MEN1KMT2A
SCHEMBL3164617 0.63 POLB (0.39) EGLN1MEN1KMT2APOLB
SCHEMBL2638367 0.63 DAO (0.42) MEN1KMT2APOLB
SCHEMBL31352237 0.62 HTT (0.52)
SCHEMBL25214174 0.62 ESR2 (0.47) MEN1KMT2A

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
US-9701686-B2 Tricyclopyrazole derivatives NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-07-11 US disclosed