SCHEMBL9139277

SCHEMBL9139277

COC(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
P4HTM Q9NXG6 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HSD11B1 P28845 2/20 0.45

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
SCHEMBL9140397 0.89 ALDH1A1 (0.51) ALDH1A1HSD17B10HTTKMT2ASMN1; SMN2
SCHEMBL9139866 0.89 P4HTM (0.61) ALDH1A1HSD17B10HTTKMT2AP4HTM
SCHEMBL8868092 0.88 ALDH1A1 (0.49) ALDH1A1HSD17B10HTTKMT2ASMN1; SMN2
SCHEMBL8868847 0.88 ALDH1A1 (0.48) ALDH1A1HSD17B10HTTKMT2ASMN1; SMN2
SCHEMBL8869693 0.86 HSD17B10 (0.50) ALDH1A1HSD17B10HTTKMT2ASMN1; SMN2
SCHEMBL9018263 0.85 HTT (0.51) ALDH1A1HSD17B10HTTKMT2ASMN1; SMN2
SCHEMBL9518038 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10HTTKMT2ASMN1; SMN2
SCHEMBL9139512 0.82 LMNA (0.53) ALDH1A1HTTKMT2ASMN1; SMN2P4HTM
SCHEMBL9138379 0.82 LMNA (0.53) ALDH1A1HTTKMT2ASMN1; SMN2P4HTM
SCHEMBL9142021 0.82 P4HTM (0.50) ALDH1A1KMT2AMAPK1P4HTMRAB9A

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-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 US disclosed