SCHEMBL20156010

SCHEMBL20156010

CNC(=O)C1CCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.66
MMP9 P14780 2/20 0.66
FKBP1A P62942 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 3/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 2/20 0.59
PKM P14618 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.55
USP2 O75604 1/20 0.54
MAPT P10636 1/20 0.54
HSD17B10 Q99714 1/20 0.54
BRD4 O60885 1/20 0.54

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
SCHEMBL27405504 0.86 MMP2 (0.63) MMP2MMP9FKBP1ASMN1; SMN2LMNA
SCHEMBL21281608 0.86 MMP2 (0.63) MMP2MMP9FKBP1ASMN1; SMN2LMNA
SCHEMBL27405503 0.86 MMP2 (0.63) MMP2MMP9FKBP1ASMN1; SMN2LMNA
SCHEMBL2709244 0.84 BRD4 (0.71) MMP2MMP9FKBP1ASMN1; SMN2LMNA
SCHEMBL23519421 0.83 ALDH1A1 (0.65) MMP2MMP9FKBP1ASMN1; SMN2LMNA
SCHEMBL6996 0.83 ALDH1A1 (0.65) MMP2MMP9FKBP1ASMN1; SMN2LMNA
SCHEMBL6997 0.83 ALDH1A1 (0.65) MMP2MMP9FKBP1ASMN1; SMN2LMNA
SCHEMBL695760 0.83 MMP2 (0.64) MMP2MMP9FKBP1ASMN1; SMN2LMNA
SCHEMBL3904609 0.83 MMP2 (0.64) MMP2MMP9FKBP1ASMN1; SMN2LMNA
SCHEMBL31086821 0.83 MMP2 (0.78) MMP2MMP9FKBP1ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed