SCHEMBL8945931

SCHEMBL8945931

CNC(CN(C(=O)C(C)(C)C)c1ccccc1)c1ccc(C)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALOX5 P09917 1/20 0.34
CCR5 P51681 2/20 0.34
ALDH1A1 P00352 2/20 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
Hydrochloric Acid SCHEMBL8946107 0.98 MEN1 (0.47) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8945908 0.82 MEN1 (0.50) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8945821 0.78 KMT2A (0.51) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8945870 0.78 MEN1 (0.48) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8945883 0.76 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8945847 0.75 CYP2C19 (0.50) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8945929 0.73 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8945987 0.69 MEN1 (0.46) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL8945937 0.68 ALOX5 (0.36) SMN1; SMN2MAPTNPC1TP53NFKB1
SCHEMBL9425495 0.68 CETP (0.40) MEN1KMT2ASMN1; SMN2MAPTNPC1

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