SCHEMBL29987602

SCHEMBL29987602

O=C(CCS(=O)(=O)c1ccccc1)N1Cc2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.65
▸ POLB P06746 3/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ NPC1 O15118 6/20 0.63
▸ KMT2A Q03164 3/20 0.60
▸ ALDH1A1 P00352 4/20 0.56
▸ TSHR P16473 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HSD11B1 P28845 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL24814720 1.00 RAB9A (0.65) RAB9APOLBSMN1; SMN2NPC1KMT2A
SCHEMBL24815673 0.84 SMN1; SMN2 (0.67) RAB9APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL29986910 0.84 SMN1; SMN2 (0.67) RAB9APOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL24815801 0.80 ALDH1A1 (0.48) RAB9APOLBSMN1; SMN2NPC1KMT2A
SCHEMBL29987207 0.80 ALDH1A1 (0.48) RAB9APOLBSMN1; SMN2NPC1KMT2A
SCHEMBL29367172 0.77 HDAC3 (0.63) SMN1; SMN2KMT2AALDH1A1TSHRMEN1
SCHEMBL28500343 0.76 HDAC3 (0.66) SMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL24814459 0.76 ALDH1A1 (0.46) RAB9APOLBSMN1; SMN2NPC1KMT2A
SCHEMBL24815692 0.76 ALDH1A1 (0.44) RAB9APOLBSMN1; SMN2NPC1KMT2A
SCHEMBL29987376 0.76 ALDH1A1 (0.44) RAB9APOLBSMN1; SMN2NPC1KMT2A

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
WO-2022251343-A2 CDGSH IRON SULFUR DOMAIN 2 ACTIVATORS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2022-12-01 — — WO disclosed
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