SCHEMBL8945908

SCHEMBL8945908

CNC(CN(C(=O)C(C)(C)C)c1ccccc1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL8945931 0.82 MEN1 (0.49) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945870 0.81 MEN1 (0.48) MEN1KMT2ACYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8946107 0.80 MEN1 (0.47) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945883 0.80 MEN1 (0.49) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945821 0.79 KMT2A (0.51) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945847 0.76 CYP2C19 (0.50) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945929 0.74 SMN1; SMN2 (0.48) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945987 0.72 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL1143876 0.71 ALOX5 (0.41) MEN1KMT2ACYP2C19SMN1; SMN2TP53
SCHEMBL8946098 0.71 MEN1 (0.44) 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