SCHEMBL31589696

SCHEMBL31589696

N#Cc1cnn2cc(-c3cnn(-c4ccccc4)c3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ GRM4 Q14833 7/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ ALKBH2 Q6NS38 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL29750692 0.84 ALDH1A1 (0.42) TSHRGAAKDM4EHSD17B10NPSR1
SCHEMBL20399729 0.78 RET (0.50) —
Hydrochloric Acid SCHEMBL30363088 0.77 USP30 (0.49) —
Hydrochloric Acid SCHEMBL29516619 0.77 USP30 (0.49) —
SCHEMBL30932028 0.75 RET (0.44) KDM5A
SCHEMBL30931974 0.75 USP30 (0.43) —
SCHEMBL31589635 0.75 RET (0.36) KDM4EALDH1A1
SCHEMBL31590410 0.75 CREBBP (0.40) —
SCHEMBL30931984 0.75 CREBBP (0.43) KDM5A
SCHEMBL30932023 0.75 KDM5A (0.39) KDM5A

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-120051471-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2025-05-27 — — CN disclosed
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