SCHEMBL29490252

SCHEMBL29490252

Cn1c(=O)n(C)c2cc(CI)ccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ TSHR P16473 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ BRD4 O60885 2/20 0.49
▸ BRPF1 P55201 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ THRB P10828 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ PKM P14618 1/20 0.44

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
SCHEMBL22862558 1.00 POLB (0.54) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL12136691 0.84 RAB9A (0.57) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL9388512 0.82 POLB (0.53) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL22862551 0.82 POLB (0.53) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL29490174 0.82 POLB (0.53) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL7479892 0.82 POLB (0.53) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL13156353 0.82 POLB (0.53) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL31737865 0.81 POLB (0.51) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL13633144 0.79 POLB (0.50) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1
SCHEMBL17229324 0.79 BRD4 (0.51) POLBSMN1; SMN2TSHRL3MBTL1ALDH1A1

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
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP disclosed
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