SCHEMBL6435397

SCHEMBL6435397

Cc1ccccc1NC(=O)N1CCC(CNC(=O)Nc2sc3c(c2C(=O)O)CCCC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
GAA P10253 1/20 0.51
NOD1 Q9Y239 1/20 0.49
TP53 P04637 4/20 0.48
ANO1 Q5XXA6 6/20 0.47
ANO2 Q9NQ90 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
BRD4 O60885 1/20 0.45
POLB P06746 1/20 0.45
ESR2 Q92731 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL3913445 0.90 ALDH1A1 (0.59) KMT2ATP53SMN1; SMN2MAPTALDH1A1
SCHEMBL6436355 0.84 KMT2A (0.54) KMT2AMEN1NOD1TP53ANO1
SCHEMBL3911867 0.82 TLR2 (0.54) KMT2ATP53SMN1; SMN2MAPTALDH1A1
SCHEMBL3914193 0.82 TLR2 (0.67) KMT2ATP53SMN1; SMN2MAPTALDH1A1
SCHEMBL3914457 0.82 TLR2 (0.53) KMT2ATP53SMN1; SMN2MAPTALDH1A1
SCHEMBL6456408 0.80 ALDH1A1 (0.60) KMT2AMEN1NOD1SMN1; SMN2MAPT
SCHEMBL6438921 0.80 KMT2A (0.52) KMT2AMEN1GAANOD1RAB9A
SCHEMBL6441582 0.80 CNR2 (0.49) KMT2AMEN1NOD1TP53SMN1; SMN2
SCHEMBL3913979 0.79 TLR2 (0.58) KMT2AGAATP53SMN1; SMN2MAPT
SCHEMBL6465710 0.79 KMT2A (0.49) KMT2AMEN1GAANOD1MAPT

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