SCHEMBL31140488

SCHEMBL31140488

COCc1cc(Cl)cc2c1c(=O)[nH]c(=O)n2-c1cccnc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 1/20 0.40
▸ TYMS P04818 1/20 0.35
▸ PDE2A O00408 1/20 0.33
▸ DRD1 P21728 3/20 0.33
▸ P2RX7 Q99572 3/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ DOT1L Q8TEK3 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PSMD14 O00487 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALOX12 P18054 1/20 0.31

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
SCHEMBL31140487 0.82 MAT2A (0.43) MAT2APDE2ADRD1P2RX7KDM4E
SCHEMBL31140485 0.82 MAT2A (0.43) MAT2APDE2ADRD1P2RX7KDM4E
SCHEMBL31140492 0.82 MAT2A (0.43) MAT2APDE2ADRD1P2RX7KDM4E
SCHEMBL31140490 0.82 MAT2A (0.43) MAT2APDE2ADRD1P2RX7KDM4E
SCHEMBL30736400 0.81 MAT2A (0.44) MAT2ATYMSPDE2AP2RX7KDM4E
SCHEMBL31140482 0.79 MAT2A (0.46) MAT2AP2RX7
SCHEMBL31361093 0.76 MAT2A (0.39) MAT2APDE2ADRD1P2RX7KDM4E
SCHEMBL31140483 0.76 MAT2A (0.35) MAT2APDE2ADOT1LMEN1KMT2A
SCHEMBL22103537 0.74 KDM4E (0.44) KDM4EMAPTHTTMEN1PSMD14
Hydrochloric Acid SCHEMBL31361058 0.73 MAT2A (0.34) MAT2APDE2ADRD1KDM4EDOT1L

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-118900841-A Tricyclic compounds and uses thereof 石药集团中奇制药技术(石家庄)有限公司 2024-11-05 — — CN disclosed
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