SCHEMBL9845375

SCHEMBL9845375

CSc1ccc(C(=O)Nc2c(C)cccc2C)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
S1PR4 O95977 2/20 0.48
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL9845322 0.82 HDAC1 (0.60) S1PR4KMT2AMEN1ALDH1A1LMNA
SCHEMBL4064646 0.79 KMT2A (0.64) S1PR4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL9845394 0.78 HCAR3 (0.55) S1PR4KMT2AMEN1ALDH1A1LMNA
SCHEMBL9522982 0.77 KMT2A (0.58) RXFP1S1PR4KMT2AMEN1CYP1A2
SCHEMBL789978 0.75 LMNA (0.64) LMNASMN1; SMN2
SCHEMBL9845318 0.73 LCK (0.57) KMT2A
SCHEMBL9523014 0.73 S1PR4 (0.69) S1PR4KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10473593 0.73 RAB9A (0.62) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL4499177 0.72 S1PR4 (0.51) S1PR4KMT2AMEN1CYP1A2CYP2C9
SCHEMBL9522743 0.72 S1PR4 (0.58) S1PR4KMT2AMEN1ALDH1A1KDM4E

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-0405931-A2 Improvements in and relating to anticonvulsant agents ELI LILLY AND COMPANY (US) 1991-01-02 EP disclosed