SCHEMBL9437649

SCHEMBL9437649

C[N+]1([O-])CCN(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)c2[c]n[nH]c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 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
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP2 P08253 4/20 0.34
MMP9 P14780 3/20 0.34
ADAMTS4 O75173 1/20 0.34
GAA P10253 1/20 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
SCHEMBL9437621 0.87 HSD17B10 (0.39) RENGAA
SCHEMBL9437654 0.85 KMT2A (0.41) RENALDH1A1MEN1KMT2A
SCHEMBL9437641 0.83 AVPR1B (0.42) RENALDH1A1MEN1KMT2A
SCHEMBL9437653 0.79 ALDH1A1 (0.39) RENCA12CA2CA7CA9
SCHEMBL9437661 0.79 ALDH1A1 (0.36) RENCA12CA2CA7CA9
SCHEMBL9437659 0.79 ALDH1A1 (0.34) RENCA12CA2CA7CA9
SCHEMBL9437648 0.79 MMP2 (0.36) RENCA12CA2CA7CA9
SCHEMBL7339274 0.73 TSHR (0.34) RENCA12CA2CA7CA9
SCHEMBL7333230 0.72 REN (0.49) REN
SCHEMBL7339453 0.70 KMT2A (0.42) KMT2A

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