SCHEMBL8945883

SCHEMBL8945883

CNC(CN(C(=O)C(C)(C)C)c1ccccc1)c1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
POLB P06746 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CXCR1 P25024 2/20 0.32

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 0.81 KMT2A (0.51) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945908 0.80 MEN1 (0.50) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945929 0.78 SMN1; SMN2 (0.48) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945870 0.78 MEN1 (0.48) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945931 0.76 MEN1 (0.49) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945847 0.75 CYP2C19 (0.50) MEN1KMT2ACYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8946107 0.74 MEN1 (0.47) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945890 0.70 ALOX5 (0.37) MEN1KMT2AALOX5ALDH1A1OPRD1
SCHEMBL8945987 0.69 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL9425144 0.68 CETP (0.40) MEN1KMT2AALDH1A1GLATSHR

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