SCHEMBL6436199

SCHEMBL6436199

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 6/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
NAMPT P43490 1/20 0.45
POLB P06746 3/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
CNR2 P34972 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
SCHEMBL6438499 0.92 MAPT (0.60) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL6456408 0.92 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL6435792 0.91 SMN1; SMN2 (0.56) ALDH1A1KMT2ARAB9AMAPTL3MBTL1
SCHEMBL3914094 0.88 MAPT (0.67) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3923527 0.81 KDM4E (0.70) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL3918270 0.81 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL3924310 0.81 MAPT (0.78) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL3923763 0.80 MAPT (0.66) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL6438921 0.77 KMT2A (0.52) ALDH1A1KMT2AMEN1RAB9APOLB
SCHEMBL6436355 0.76 KMT2A (0.54) ALDH1A1KMT2AMEN1RAB9AMAPT

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