SCHEMBL9054634

SCHEMBL9054634

CC1(C)COC(c2cc(Br)ccc2Cl)=N1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HTT P42858 3/20 0.42
ATM Q13315 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL10895787 0.88 KDM4E (0.44) KDM4EHTTATMALDH1A1HPGD
SCHEMBL257654 0.80 KDM4E (0.45) KDM4EHTTATMALDH1A1HPGD
SCHEMBL1272427 0.79 POLB (0.44) KDM4EHTTALDH1A1MAPTLMNA
SCHEMBL5684165 0.79 HTT (0.45) KDM4EHTTATMALDH1A1HPGD
SCHEMBL9842227 0.78 ATM (0.56) KDM4EHTTATMALDH1A1HPGD
SCHEMBL5549386 0.77 KDM4E (0.42) KDM4EHTTMAPTLMNASMN1; SMN2
SCHEMBL11085738 0.76 KDM4E (0.42) KDM4EHTTATMALDH1A1HPGD
SCHEMBL655887 0.76 HPGD (0.46) KDM4EHTTATMALDH1A1HPGD
SCHEMBL1276310 0.76 KDM4E (0.51) KDM4EHTTATMALDH1A1HPGD
SCHEMBL8815409 0.75 KDM4E (0.41) KDM4EHTTATMALDH1A1HPGD

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
EP-4389733-A1 METHOD FOR PREPARING 5-BROMO-2-CHLORO-BENZOIC ACID AS RAW MATERIAL IN HYPOGLYCEMIC DRUG SYNTHESIS Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2024-06-26 EP disclosed
WO-1996014302-A1 PYRAZOLE DERIVATIVES EXHIBITING ANTI-INFLAMMATORY AND ANALGESIC EFFECTS EISAI CO., LTD. (JP) 1996-05-17 WO disclosed
US-4501895-A ELASTIN DEGRADATION INHIBITION G.D. SEARLE & CO. (US) 1985-02-26 US disclosed
EP-0126372-A1 Halogenated protease inhibitors G.D. Searle & Co. (US) 1984-11-28 EP disclosed
US-4469885-A Halogenated protease inhibitors G. D. SEARLE & CO. (US) 1984-09-04 US disclosed