SCHEMBL9236170

SCHEMBL9236170

Cc1ccccc1S(=O)(=O)OCCn1c(C)cnc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 1/20 0.47
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ KDR P35968 1/20 0.35
▸ EGFR P00533 5/20 0.34
▸ ERBB2 P04626 5/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GLA P06280 1/20 0.33

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
SCHEMBL9236173 0.83 SMN1; SMN2 (0.50) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL9236174 0.81 SMN1; SMN2 (0.56) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL9232630 0.81 CA1 (0.67) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL8654494 0.72 KMT2A (0.45) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL12391228 0.71 SMN1; SMN2 (0.50) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL11729587 0.71 LMNA (0.51) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL24270457 0.70 LMNA (0.58) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL11830691 0.69 CA1 (0.42) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL7619544 0.69 KMT2A (0.43) SMN1; SMN2LMNAALDH1A1POLBMEN1
Bromide SCHEMBL17079938 0.69 SMN1; SMN2 (0.48) SMN1; SMN2LMNACA12CA1CA2

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-0632040-A1 Antibacterial imidazole derivatives Takeda Chemical Industries, Ltd. (JP) 1995-01-04 — — EP disclosed
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