SCHEMBL11799583

SCHEMBL11799583

Nc1cc(S(=O)(=O)O)c([N+](=O)[O-])cc1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ TTR P02766 1/20 0.48
▸ ALB P02768 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HPSE Q9Y251 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ APEX1 P27695 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MLNR O43193 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL343409 0.79 HTT (0.47) TDP1SMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL1941394 0.78 HTT (0.46) TDP1SMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL7823786 0.75 HPSE (0.55) MEN1KMT2ATTRALBTHRB
SCHEMBL11742164 0.75 CYP1A2 (0.50) MEN1KMT2ATDP1SMN1; SMN2APEX1
SCHEMBL10351830 0.75 NSD2 (0.53) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL15155688 0.74 TDP1 (0.57) MEN1KMT2ATTRALBTHRB
SCHEMBL6725208 0.74 TBXA2R (0.55) MEN1KMT2ASMN1; SMN2APEX1POLB
SCHEMBL11581091 0.74 CASP6 (0.53) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL9354657 0.73 PKM (0.49) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL7829064 0.73 MAPT (0.57) MEN1KMT2ATDP1SMN1; SMN2APEX1

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-3960831-A WET FASTNESS, COLORFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 — — US disclosed
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