SCHEMBL9437535

SCHEMBL9437535

O=C(c1cs[c]n1)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MMP2 P08253 4/20 0.36
MMP9 P14780 3/20 0.36
ADAMTS4 O75173 1/20 0.36
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
POLB P06746 1/20 0.35

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 0.89 ALDH1A1 (0.39) RENKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9437597 0.89 MEN1 (0.49) RENKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9437538 0.89 ALDH1A1 (0.37) RENKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9437637 0.86 ALDH1A1 (0.40) RENKMT2AALDH1A1MEN1
SCHEMBL9437653 0.86 ALDH1A1 (0.39) RENKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9437542 0.81 REN (0.41) RENKMT2AALDH1A1MEN1MMP2
SCHEMBL9437605 0.79 KMT2A (0.40) RENKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9437654 0.79 KMT2A (0.41) RENKMT2AALDH1A1MEN1ITGB3
SCHEMBL9437601 0.78 KMT2A (0.45) RENKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9437560 0.77 KMT2A (0.41) RENKMT2AALDH1A1MEN1MMP2

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