SCHEMBL9437653

SCHEMBL9437653

C[N+]1([O-])CCN(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)c2cs[c]n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MMP2 P08253 5/20 0.35
MMP9 P14780 4/20 0.35
ADAMTS4 O75173 1/20 0.35
MAPT P10636 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 1/20 0.35
REN P00797 3/20 0.34

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
SCHEMBL9437573 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9437535 0.86 REN (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2MMP2
SCHEMBL9437597 0.85 MEN1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2REN
SCHEMBL9437637 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL9437659 0.82 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9437538 0.81 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9437661 0.80 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9437649 0.79 REN (0.35) ALDH1A1MEN1KMT2AMMP2MMP9
SCHEMBL9437648 0.78 MMP2 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7333230 0.72 REN (0.49) REN

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-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 US disclosed