SCHEMBL30034993

SCHEMBL30034993

Cc1csc2nc(-c3ccccn3)nc(Cl)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.68
▸ LMNA P02545 3/20 0.68
▸ RAB9A P51151 3/20 0.68
▸ HPGD P15428 2/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ CASP3 P42574 1/20 0.68
▸ SENP8 Q96LD8 1/20 0.68
▸ SENP7 Q9BQF6 1/20 0.68
▸ SENP6 Q9GZR1 1/20 0.68
▸ METAP1 P53582 4/20 0.48
▸ KDM4E B2RXH2 6/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ METAP2 P50579 2/20 0.44
▸ TGFBR1 P36897 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL5121836 1.00 NPC1 (0.68) NPC1LMNARAB9AHPGDSMN1; SMN2
SCHEMBL20665930 0.87 NPC1 (0.73) NPC1LMNARAB9AHPGDSMN1; SMN2
SCHEMBL30033460 0.84 HPGD (0.82) NPC1LMNARAB9AHPGDSMN1; SMN2
SCHEMBL26158979 0.84 NPC1 (0.70) NPC1LMNARAB9AHPGDSMN1; SMN2
SCHEMBL18998173 0.84 NPC1 (0.52) NPC1LMNARAB9AHPGDSMN1; SMN2
SCHEMBL23579763 0.84 HPGD (0.82) NPC1LMNARAB9AHPGDSMN1; SMN2
SCHEMBL2410468 0.82 TGFBR1 (0.59) NPC1LMNARAB9AHPGDSMN1; SMN2
SCHEMBL20665839 0.81 SMN1; SMN2 (1.00) NPC1LMNARAB9AHPGDSMN1; SMN2
SCHEMBL30033875 0.81 SMN1; SMN2 (1.00) NPC1LMNARAB9AHPGDSMN1; SMN2
SCHEMBL5129938 0.81 NPC1 (0.45) NPC1LMNARAB9AHPGDSMN1; SMN2

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-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 — — CN disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 — — EP disclosed
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