SCHEMBL29911992

SCHEMBL29911992

O=C(Cc1ccccn1)Nc1nccs1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.65
▸ PKM P14618 1/20 0.65
▸ RAB9A P51151 3/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ METAP2 P50579 1/20 0.60
▸ METAP1 P53582 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ GLS O94925 6/20 0.59
▸ TP53 P04637 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ FFAR2 O15552 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ GLA P06280 1/20 0.56
▸ USP2 O75604 1/20 0.54
▸ TSHR P16473 1/20 0.54

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
SCHEMBL4687548 0.82 FFAR2 (0.74) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL29855979 0.81 FFAR2 (0.72) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19914376 0.80 GLS (0.60) SMN1; SMN2GLSPOLB
SCHEMBL31207176 0.79 FFAR2 (0.64) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2028409 0.76 CA1 (0.69) PKMRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL20392510 0.76 GLS (0.69) ALDH1A1L3MBTL1GLSPOLB
SCHEMBL10574471 0.76 POLB (0.71) SMN1; SMN2LMNAPOLB
SCHEMBL24101681 0.76 PDE5A (0.70) RAB9ANPC1SMN1; SMN2LMNAMETAP2
SCHEMBL1897970 0.75 NPC1 (1.00) ALDH1A1PKMRAB9ANPC1SMN1; SMN2
SCHEMBL13694245 0.74 MAPK8 (0.63) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160311-A Bifunctional compound for EGFR degradation and application thereof 北京康辰药业股份有限公司 2022-10-11 — — CN claimed
CN-115160311-A Bifunctional compound for EGFR degradation and application thereof 北京康辰药业股份有限公司 2022-10-11 — — CN disclosed
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