SCHEMBL9437573

SCHEMBL9437573

CN1CCN(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)c2cs[c]n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CTSB P07858 2/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CHRM1 P11229 2/20 0.38
CTSL P07711 2/20 0.38
CTSS P25774 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AVPR1A P37288 2/20 0.36
AVPR1B P47901 2/20 0.36
REN P00797 1/20 0.36

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
SCHEMBL9437637 0.96 ALDH1A1 (0.40) ALDH1A1CTSBHSD17B10MEN1KMT2A
SCHEMBL9437535 0.89 REN (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2REN
SCHEMBL9437597 0.88 MEN1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2REN
SCHEMBL9437653 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL9437538 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL7332174 0.82 MMP2 (0.51) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL7332179 0.82 MMP2 (0.51) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL9437534 0.80 HSD17B10 (0.38) ALDH1A1CTSBHSD17B10CHRM1CTSL
SCHEMBL9437610 0.78 HSD17B10 (0.38) ALDH1A1CTSBHSD17B10MEN1KMT2A
SCHEMBL9437628 0.77 AVPR1B (0.40) ALDH1A1CTSBHSD17B10MEN1KMT2A

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