SCHEMBL6436355

SCHEMBL6436355

O=C(NCC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)Nc1sc2c(c1C(=O)O)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MEN1 O00255 5/20 0.54
NOD1 Q9Y239 3/20 0.52
TNF P01375 2/20 0.52
ALOX5 P09917 1/20 0.50
TP53 P04637 3/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CNR2 P34972 1/20 0.46
HPGD P15428 1/20 0.45
ANO1 Q5XXA6 1/20 0.45
TLR2 O60603 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3923638 0.88 TLR2 (0.62) KMT2AMEN1MAPTTLR2ALDH1A1
SCHEMBL6435397 0.84 KMT2A (0.53) KMT2AMEN1NOD1TP53MAPT
SCHEMBL6438499 0.84 MAPT (0.60) KMT2AMEN1NOD1TNFTP53
SCHEMBL6437614 0.82 KMT2A (0.51) KMT2AMEN1NOD1TNFTP53
SCHEMBL3914193 0.82 TLR2 (0.67) KMT2ATP53MAPTCNR2TLR2
SCHEMBL3923711 0.81 TLR2 (0.60) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6438921 0.81 KMT2A (0.52) KMT2AMEN1NOD1TNFNPC1
SCHEMBL6465710 0.79 KMT2A (0.49) KMT2AMEN1NOD1MAPTNPC1
SCHEMBL6438040 0.78 KMT2A (0.51) KMT2AMEN1NOD1TP53MAPT
SCHEMBL6456408 0.78 ALDH1A1 (0.60) KMT2AMEN1NOD1TNFMAPT

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-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 EP disclosed
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 WO disclosed