SCHEMBL9845394

SCHEMBL9845394

CNc1ccc(C(=O)Nc2c(C)cccc2C)cn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.55
NNMT P40261 1/20 0.54
S1PR4 O95977 1/20 0.49
MAPT P10636 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL9845369 0.91 LCK (0.54) HCAR3NNMTSMN1; SMN2LCKFYN
SCHEMBL9845322 0.83 HDAC1 (0.60) S1PR4KMT2AMEN1ALDH1A1LMNA
SCHEMBL4064646 0.81 KMT2A (0.64) S1PR4MAPTKMT2AMEN1ALDH1A1
SCHEMBL259362 0.79 MEN1 (0.73) HCAR3MAPTKMT2AMEN1ALDH1A1
SCHEMBL9845375 0.78 RXFP1 (0.48) S1PR4KMT2AMEN1ALDH1A1LMNA
SCHEMBL18715411 0.77 HCAR3 (0.70) HCAR3NNMTMAPTSMN1; SMN2
SCHEMBL9523578 0.76 S1PR4 (0.55) S1PR4MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL4253868 0.75 P4HTM (0.67) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL9845318 0.74 LCK (0.57) KMT2ALCKFYNSRC
SCHEMBL9523014 0.74 S1PR4 (0.69) S1PR4MAPTKMT2AALDH1A1SMN1; SMN2

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-0405931-A2 Improvements in and relating to anticonvulsant agents ELI LILLY AND COMPANY (US) 1991-01-02 EP disclosed
US-4973597-A PYRIDINECARBOXAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1990-11-27 US disclosed