SCHEMBL11684263

SCHEMBL11684263

Nc1snc2cccc([N+](=O)[O-])c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
TYMS P04818 1/20 0.46
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GPR35 Q9HC97 1/20 0.40
EGFR P00533 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NOS1 P29475 1/20 0.38
MAPT P10636 1/20 0.37
CLK1 P49759 1/20 0.37
FGFR1 P11362 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL11103185 0.73 TDP1 (0.50) TXNRD1TXNRD3TXNRD2POLBTDP1
SCHEMBL30999970 0.73 TXNRD1 (0.42) TXNRD1TXNRD3TXNRD2TYMSTDP1
SCHEMBL6972440 0.70 DHFR (0.57) TXNRD1TXNRD3TXNRD2TYMSALDH1A1
SCHEMBL21596907 0.70 TYMS (0.43) TXNRD1TXNRD3TXNRD2TYMSPOLB
SCHEMBL27789837 0.70 POLB (0.54) TXNRD1TXNRD3TXNRD2TYMSPOLB
SCHEMBL22978840 0.70 CCNT1 (0.47) TXNRD1TXNRD3TXNRD2TYMSPOLB
SCHEMBL9722771 0.69 BACE1 (0.40) TYMSPOLBALDH1A1MEN1KMT2A
SCHEMBL2918933 0.68 KMT2A (0.52) TYMSPOLBTDP1ALDH1A1EGFR
SCHEMBL65199 0.67 TDP1 (0.61) POLBTDP1ALDH1A1GPR35MEN1
SCHEMBL2213406 0.67 TXNRD1 (1.00) TXNRD1TXNRD3TXNRD2POLBTDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4028323-A WITH A SUBSTITUTED AMINOBENZENE CIBA-GEIGY AG (CH) 1977-06-07 US disclosed