SCHEMBL25183258

SCHEMBL25183258

O=c1[nH]ncc2cc(Sc3ccccc3)c(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ PRKCI P41743 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PNP P00491 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ TYMS P04818 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MET P08581 1/20 0.32
▸ ALDH1A2 O94788 1/20 0.32
▸ ALDH1A3 P47895 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL25183266 0.79 ALDH1A1 (0.57) ALDH1A1TDP1PARP1PRKCIPDE4B
SCHEMBL30375279 0.79 ALDH1A1 (0.57) ALDH1A1TDP1PARP1PRKCIPDE4B
SCHEMBL29655052 0.76 ALDH1A1 (0.50) ALDH1A1TDP1PARP1PRKCIPDE4B
SCHEMBL25198709 0.75 HSD17B10 (0.49) ALDH1A1TDP1PARP1PRKCIPDE4B
SCHEMBL25180453 0.75 HSD17B10 (0.41) ALDH1A1TDP1PARP1PRKCIPDE4B
SCHEMBL25470723 0.72 ALDH1A1 (0.45) ALDH1A1TDP1PARP1PRKCIPDE4B
SCHEMBL25184055 0.69 ALDH1A1 (0.44) ALDH1A1TDP1PARP1PRKCIPDE4B
Phthalazinone SCHEMBL27602022 0.67 PARP1 (0.96) ALDH1A1TDP1PARP1PRKCIPDE4B
SCHEMBL21917350 0.66 PARP1 (0.56) ALDH1A1TDP1PARP1PRKCIPDE4B
SCHEMBL29390884 0.66 PARP1 (0.56) ALDH1A1TDP1PARP1PRKCIPDE4B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426681-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS Sitryx Therapeutics Limited (GB) 2024-09-11 — — EP claimed
CN-118317951-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2024-07-09 — — CN claimed
WO-2023079294-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2023-05-11 — — WO claimed
EP-4426681-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS Sitryx Therapeutics Limited (GB) 2024-09-11 — — EP disclosed
CN-118317951-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2024-07-09 — — CN disclosed
WO-2023079294-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2023-05-11 — — WO disclosed
WO-2023079294-A1 PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS SITRYX THERAPEUTICS LIMITED (GB) 2023-05-11 — — WO disclosed
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