SCHEMBL8945929

SCHEMBL8945929

CNC(CN(C(=O)C(C)(C)C)c1ccccc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.43
KCNA5 P22460 4/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL8945821 0.87 KMT2A (0.51) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL8945847 0.79 CYP2C19 (0.50) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL8945883 0.78 MEN1 (0.49) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL8945908 0.74 MEN1 (0.50) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL19464263 0.73 TBXAS1 (0.55) CYP2C9CYP2C19ITGB3ITGAVITGA2B
SCHEMBL8945931 0.73 MEN1 (0.49) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL6954926 0.73 ITGB3 (0.52) SMN1; SMN2HTTKCNA5ITGB3ITGAV
SCHEMBL24260449 0.72 KCNA5 (0.40) SMN1; SMN2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL8945870 0.72 MEN1 (0.48) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL24260453 0.72 POLB (0.40) SMN1; SMN2CYP3A4CYP2C9CYP2C19KMT2A

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-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed