SCHEMBL24467706

SCHEMBL24467706

c1nc(N2CCNCC2)ncc1C1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.50
▸ CASP1 P29466 5/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ CASP7 P55210 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ TSHR P16473 3/20 0.46
▸ HRH1 P35367 1/20 0.44
▸ USP2 O75604 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CASP4 P49662 1/20 0.42
▸ CASP5 P51878 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KMT2A Q03164 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
Hydrochloric Acid SCHEMBL29208842 0.98 ALDH1A1 (0.58) ALDH1A1KDM4ETAAR1CASP1CYP1A2
SCHEMBL24467769 0.93 ALDH1A1 (0.52) ALDH1A1KDM4ETAAR1CASP1CYP1A2
SCHEMBL24968325 0.91 ALDH1A1 (0.50) ALDH1A1KDM4ETAAR1CASP1CYP1A2
SCHEMBL15000813 0.81 POLB (0.47) ALDH1A1KDM4ECYP1A2TSHRKMT2A
SCHEMBL26157259 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ETAAR1CASP1CYP1A2
SCHEMBL3668289 0.80 ALDH1A1 (0.59) ALDH1A1KDM4ETAAR1CASP1CYP1A2
SCHEMBL2365777 0.79 DDB1 (0.49) ALDH1A1KDM4ECYP1A2HSD17B10USP2
SCHEMBL24467776 0.79 ALDH1A1 (0.49) ALDH1A1KDM4ETAAR1CASP1CYP1A2
SCHEMBL1550925 0.78 SLC6A9 (0.37) KDM4ETSHRCYP2C19KMT2A
Hydrochloric Acid SCHEMBL3670082 0.78 ALDH1A1 (0.62) ALDH1A1KDM4ETAAR1CASP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 — — WO disclosed
CN-116157396-A Pyridazinone derivatives and their use in medicine 成都百裕制药股份有限公司 2023-05-23 — — CN disclosed
WO-2023001247-A1 PYRIDAZINONE COMPOUND 南京明德新药研发有限公司 2023-01-26 — — WO disclosed
WO-2022111700-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-02 — — WO disclosed
WO-2022111700-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-02 — — WO disclosed
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