SCHEMBL29904487

SCHEMBL29904487

O=C(Nc1ncns1)c1cc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ IDO1 P14902 1/20 0.53
▸ EGFR P00533 8/20 0.51
▸ PIK3CA P42336 8/20 0.51
▸ RET P07949 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ DAO P14920 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SRD5A2 P31213 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HSPA5 P11021 1/20 0.47

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
SCHEMBL29904457 0.79 HSPA5 (0.71) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL8558332 0.79 HSPA5 (0.71) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL10253049 0.77 NPC1 (0.57) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL10287176 0.75 NPC1 (0.53) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL7208136 0.74 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL29475123 0.74 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL3569428 0.74 NPC1 (0.71) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL375488 0.73 STAT3 (0.58) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL16465542 0.73 NPC1 (0.97) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL8562358 0.73 NPC1 (0.56) NPC1RAB9ALMNASMN1; SMN2KDM4E

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-115785100-A Compounds useful as RET inhibitors 癌症研究科技有限公司 2023-03-14 — — CN disclosed
CN-110506043-B Compounds useful as RET inhibitors 癌症研究科技有限公司 2022-11-01 — — CN disclosed
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