SCHEMBL38650804

SCHEMBL38650804

Cc1nnc(-c2cccc(C(C(=O)O)C(=O)O)c2)o1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 16/20 0.51
NPC1 O15118 2/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.41
THRB P10828 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
SCHEMBL38650999 0.87 CTSA (0.47) CTSANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL8226565 0.80 SMN1; SMN2 (0.47) CTSANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL16572042 0.78 MYC (0.61) NPC1TSHRRAB9ASMN1; SMN2HPGD
SCHEMBL9341650 0.75 NPC1 (0.61) CTSANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL11964433 0.74 NPC1 (0.59) NPC1TSHRRAB9ASMN1; SMN2HPGD
SCHEMBL11528501 0.74 NPC1 (0.48) NPC1TSHRRAB9ASMN1; SMN2HPGD
SCHEMBL1186494 0.73 GUSB (0.51) NPC1TSHRRAB9ASMN1; SMN2HPGD
SCHEMBL29176858 0.73 L3MBTL1 (0.62) NPC1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL30817778 0.73 L3MBTL1 (0.62) NPC1TSHRRAB9ASMN1; SMN2MAPT
SCHEMBL12974 0.73 HPGD (0.73) NPC1TSHRRAB9ASMN1; SMN2HPGD

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
CN-122010938-A Pyrido [1, 2-a ] pyrimidine mesoionic derivative containing five-membered heterocyclic structure, and preparation and application thereof 贵州大学 2026-05-12 CN disclosed