SCHEMBL9437601

SCHEMBL9437601

O=C(C1=NC=C[N]1)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
REN P00797 4/20 0.39
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
MMP2 P08253 4/20 0.35
MMP9 P14780 3/20 0.35
ADAMTS4 O75173 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL9437655 0.88 HSD17B10 (0.40) KMT2ARENMEN1ALDH1A1
SCHEMBL9437602 0.87 F2 (0.36) KMT2AMEN1ALDH1A1MMP2MMP9
SCHEMBL9437588 0.84 CHRM1 (0.41) KMT2ARENMEN1ALDH1A1
SCHEMBL9437560 0.80 KMT2A (0.41) KMT2ARENMEN1ALDH1A1ITGB3
SCHEMBL9437654 0.78 KMT2A (0.41) KMT2ARENMEN1ALDH1A1ITGB3
SCHEMBL9437535 0.78 REN (0.41) KMT2ARENMEN1ALDH1A1ITGB3
SCHEMBL9437605 0.77 KMT2A (0.40) KMT2ARENMEN1ALDH1A1ITGB3
SCHEMBL9437542 0.77 REN (0.41) KMT2ARENMEN1ALDH1A1ITGB3
SCHEMBL7331751 0.71 REN (0.54) REN
SCHEMBL9437590 0.70 KMT2A (0.37) 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