SCHEMBL8946098

SCHEMBL8946098

CCCNC(CN(C(=O)C(C)(C)C)c1ccccc1)c1sccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
RIPK1 Q13546 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8945987 0.91 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945870 0.87 MEN1 (0.48) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL9425081 0.72 PGR (0.40) MEN1KMT2ACXCR1CXCR2PGR
SCHEMBL8945908 0.71 MEN1 (0.50) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945931 0.68 MEN1 (0.49) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945883 0.68 MEN1 (0.49) MEN1KMT2ACYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8946107 0.66 MEN1 (0.47) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL17333657 0.66 MEN1 (0.76) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL9424902 0.65 SIGMAR1 (0.33) CXCR1CXCR2PGRSCN1ASCN2A
SCHEMBL8945821 0.65 KMT2A (0.51) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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