SCHEMBL6867576

SCHEMBL6867576

OC(O)C(Cc1ccc(-c2csnn2)cc1)C(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
NOTUM Q6P988 1/20 0.50
PTPN1 P18031 3/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
MGLL Q99685 1/20 0.41
BRS3 P32247 1/20 0.41
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40

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
SCHEMBL10130596 0.80 KMT2A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL14121940 0.79 KMT2A (0.53) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL95792 0.78 KMT2A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL19900671 0.76 KMT2A (0.78) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL219769 0.74 KMT2A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL179124 0.74 KMT2A (0.63) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL95791 0.74 KMT2A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4573216 0.74 KMT2A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL3001943 0.74 KMT2A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL632993 0.74 KMT2A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2

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-2470514-B1 PSEUDO-DIPEPTIDES AS MMP INHIBITORS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-12 EP disclosed
WO-2011023864-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-03 WO disclosed