SCHEMBL9811375

SCHEMBL9811375

O=C(O)c1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.41
▸ NPY5R Q15761 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TBXA2R P21731 1/20 0.38

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
Oxalic Acid SCHEMBL9811310 0.90 KMT2A (0.43) KMT2AMEN1NPY5RKDM4ELMNA
SCHEMBL9811288 0.89 KMT2A (0.44) KMT2AMEN1NPY5RKDM4ELMNA
SCHEMBL9811304 0.88 KMT2A (0.43) KMT2AMEN1NPY5RKDM4ELMNA
SCHEMBL9620317 0.87 PKM (0.56) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL9811328 0.84 KMT2A (0.43) KMT2AMEN1NPY5RKDM4ELMNA
SCHEMBL9811280 0.82 ALDH1A1 (0.39) KMT2AMEN1KDM4ELMNAGAA
SCHEMBL9620614 0.81 ALDH1A1 (0.58) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL9811320 0.80 KMT2A (0.41) KMT2AMEN1NPY5RKDM4ELMNA
SCHEMBL10656087 0.79 KMT2A (0.50) KMT2AMEN1NPY5RLMNAMAPT
SCHEMBL10735758 0.78 SMN1; SMN2 (0.47) KMT2AMEN1KDM4ELMNAGAA

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
EP-0223124-B1 SUBSTITUTED AMINOSULFONYL 6-NITROBENZOIC-ESTERS OR AMIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1991-06-12 — — EP claimed
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