SCHEMBL30427560

SCHEMBL30427560

COC(=O)c1cc(Cc2ccc(OC)nc2)c2c(n1)CCO2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.39
▸ GRM2 Q14416 2/20 0.38
▸ CSF1R P07333 4/20 0.38
▸ GPR52 Q9Y2T5 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRNA7 P36544 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ DAO P14920 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL21873532 1.00 PARP1 (0.39) PARP1GRM2CSF1RGPR52SMN1; SMN2
SCHEMBL30428268 0.91 GRM2 (0.39) GRM2CSF1RGPR52SMN1; SMN2MEN1
SCHEMBL21873618 0.91 GRM2 (0.39) GRM2CSF1RGPR52SMN1; SMN2MEN1
SCHEMBL21873488 0.85 SLC5A1 (0.39) SMN1; SMN2RAB9A
SCHEMBL30429049 0.85 SLC5A1 (0.39) SMN1; SMN2RAB9A
SCHEMBL21935399 0.85 ADORA2A (0.43) CHRNA7CHRM1KCNH2NPC1RAB9A
SCHEMBL21935658 0.84 ADORA2A (0.42) SMN1; SMN2KMT2ACHRNA7CHRM1
SCHEMBL31668954 0.82 CHRM1 (0.54) CHRM1
SCHEMBL21873403 0.82 CHRM1 (0.54) CHRM1
SCHEMBL21873484 0.82 CHRM1 (0.54) CHRM1KCNH2

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-110709401-B Heterocyclic compounds 武田药品工业株式会社 2023-06-13 — — CN disclosed
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