SCHEMBL24072487

SCHEMBL24072487

Nc1cnc(NC(=O)c2ccccc2N)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.61
▸ RAB9A P51151 8/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ STAT3 P40763 2/20 0.48
▸ PTGS1 P23219 3/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ P2RX1 P51575 1/20 0.47
▸ FADS1 O60427 1/20 0.47
▸ KDR P35968 1/20 0.46
▸ DDX3X O00571 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL24074605 0.87 CYP1A2 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL30339193 0.85 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL30339330 0.85 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL30339083 0.85 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL24072514 0.85 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL24073804 0.85 NPC1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL24072542 0.85 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL24074488 0.85 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL30339219 0.85 NPC1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL24074132 0.85 ALDH1A1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2GAA

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-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 — — WO disclosed
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