SCHEMBL4747248

SCHEMBL4747248

CCC(C)C(N)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.48
DPP7 Q9UHL4 1/20 0.47
EPHX2 P34913 1/20 0.47
PPARG P37231 1/20 0.47
LMNA P02545 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL8164760 1.00 CYP2C9 (0.53) CYP2C9CYP2C19MEN1KMT2AHTT
SCHEMBL8172012 0.87 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3668459 0.87 CA1 (0.47) MEN1KMT2ACA1CA2CA7
SCHEMBL4747242 0.87 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8614402 0.85 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3239995 0.85 HPGD (0.54) MEN1KMT2ACARM1PRMT6HPGD
SCHEMBL7955857 0.85 HPGD (0.54) MEN1KMT2ACARM1PRMT6HPGD
Hydrochloric Acid SCHEMBL8614398 0.85 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7432155 0.85 ANPEP (0.57) MEN1KMT2AALDH1A1
SCHEMBL8155147 0.85 ANPEP (0.57) MEN1KMT2AALDH1A1

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
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed