SCHEMBL7856359

SCHEMBL7856359

CN(C)C(=O)c1cccc(-c2ccccc2-c2ccccc2)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
KEAP1 Q14145 1/20 0.49
ALDH1A1 P00352 5/20 0.47
HNF4A P41235 1/20 0.44
BCAT2 O15382 1/20 0.42
ABCB1 P08183 1/20 0.42
PDK2 Q15119 1/20 0.41
POLB P06746 1/20 0.41
TACR1 P25103 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CTSA P10619 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CNR2 P34972 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL7445918 0.85 MEN1 (0.86) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
Hydrogen Sulfide SCHEMBL28029146 0.83 MEN1 (0.83) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL7855358 0.82 MEN1 (0.64) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL6677412 0.81 MEN1 (1.00) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL30463435 0.81 MEN1 (1.00) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
Hydrochloric Acid SCHEMBL20578422 0.80 MEN1 (0.96) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL3791684 0.79 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL8569633 0.79 MEN1 (0.64) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL7855886 0.79 MEN1 (0.64) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL3760398 0.79 MEN1 (0.74) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP claimed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP claimed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 WO claimed