SCHEMBL6438499

SCHEMBL6438499

O=C(NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1sc2c(c1C(=O)O)CCCC2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
TNF P01375 2/20 0.52
NOD1 Q9Y239 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
CNR2 P34972 1/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
ACLY P53396 2/20 0.47
KDM4E B2RXH2 2/20 0.47
THRB P10828 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
SCHEMBL6456408 0.93 ALDH1A1 (0.60) MAPTALDH1A1KMT2AMEN1TNF
SCHEMBL6436199 0.92 ALDH1A1 (0.58) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6435792 0.92 SMN1; SMN2 (0.56) MAPTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL3924310 0.88 MAPT (0.78) MAPTALDH1A1KMT2ACNR2LMNA
SCHEMBL6436355 0.84 KMT2A (0.54) MAPTALDH1A1KMT2AMEN1TNF
SCHEMBL3918270 0.82 ALDH1A1 (0.70) MAPTALDH1A1KMT2AL3MBTL1CNR2
SCHEMBL3923527 0.82 KDM4E (0.70) MAPTALDH1A1KMT2ACNR2LMNA
SCHEMBL3914094 0.81 MAPT (0.67) MAPTALDH1A1KMT2AMEN1CNR2
SCHEMBL3923763 0.80 MAPT (0.66) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4539894 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1L3MBTL1LMNA

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