SCHEMBL29203340

SCHEMBL29203340

CN1C(COc2ccc(Br)cc2)COCC1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRNB2 P17787 5/20 0.40
CHRNA4 P43681 5/20 0.40
TSHR P16473 1/20 0.39
ESRRG P62508 3/20 0.39
ESRRB O95718 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL30240828 1.00 KDM4E (0.41) KDM4ERECQLTDP1CHRNB2CHRNA4
SCHEMBL29203341 1.00 KDM4E (0.41) KDM4ERECQLTDP1CHRNB2CHRNA4
SCHEMBL29203471 0.82 KDM4E (0.41) KDM4ERECQLTDP1CHRNB2CHRNA4
SCHEMBL29203407 0.80 TSHR (0.37) KDM4ERECQLTDP1CHRNB2CHRNA4
SCHEMBL29203469 0.75 TSHR (0.43) KDM4ERECQLTDP1CHRNB2CHRNA4
SCHEMBL31473801 0.74 CHRNA3 (0.60) CHRNB2CHRNA4ESRRGESRRB
SCHEMBL29203483 0.73 TSHR (0.44) KDM4ERECQLTDP1TSHRALDH1A1
SCHEMBL24933238 0.72 TSHR (0.37) KDM4ERECQLTDP1CHRNB2CHRNA4
SCHEMBL30434887 0.72 CHRNB2 (0.70) CHRNB2CHRNA4ESRRGESRRB
SCHEMBL24933767 0.71 ALDH1A1 (0.39) KDM4ERECQLTDP1TSHRALDH1A1

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-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed