SCHEMBL6437832

SCHEMBL6437832

Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(=O)O)CCC(C)C2

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
HPGD P15428 5/20 0.70
ALDH1A1 P00352 3/20 0.70
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 2/20 0.56
HTT P42858 2/20 0.52
LMNA P02545 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TNF P01375 4/20 0.48
NOD1 Q9Y239 4/20 0.48
POLB P06746 1/20 0.47
NOD2 Q9HC29 1/20 0.47

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
SCHEMBL3914875 0.92 ALDH1A1 (0.69) MAPTHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL6435364 0.80 KMT2A (0.85) MAPTHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3924730 0.78 ALDH1A1 (0.82) MAPTHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3280415 0.76 POLB (0.61) MAPTHPGDALDH1A1CYP2C9CYP2C19
SCHEMBL8290736 0.76 ALDH1A1 (0.61) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL3911839 0.75 ALDH1A1 (0.77) MAPTHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3914675 0.75 ALDH1A1 (0.67) MAPTHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3916269 0.74 CYP1A2 (0.77) MAPTHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3914077 0.74 ALDH1A1 (0.77) MAPTHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3279858 0.73 ALDH1A1 (0.73) MAPTHPGDALDH1A1CYP1A2CYP2C9

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 claimed
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 claimed