SCHEMBL28619979

SCHEMBL28619979

CN1Cc2ccc(I)cc2CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.41
▸ SRD5A1 P18405 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.38
▸ CASP3 P42574 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ APP P05067 1/20 0.35
▸ ADRA2A P08913 1/20 0.33
▸ PNMT P11086 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ NEK2 P51955 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C1 Q04828 1/20 0.32
▸ NOTUM Q6P988 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
SCHEMBL2839028 0.80 METAP1 (0.43) SRD5A1GAASMN1; SMN2CYP11B2DPP7
SCHEMBL21183690 0.79 BRD4 (0.54) TDP2SRD5A1GAASMN1; SMN2CYP11B2
SCHEMBL21603396 0.79 SMN1; SMN2 (0.42) GAASMN1; SMN2CYP11B2BRD4
SCHEMBL23957375 0.79 P2RX7 (0.42) SRD5A1GAASMN1; SMN2CYP11B2
SCHEMBL29481934 0.79 P2RX7 (0.42) SRD5A1GAASMN1; SMN2CYP11B2
SCHEMBL13637299 0.76 HSP90AA1 (0.38) GAASMN1; SMN2CYP11B2ACHE
SCHEMBL677618 0.75 BRD4 (0.50) CYP11B2BRD4CREBBPNOTUMACHE
SCHEMBL9922266 0.74 TDP2 (0.51) TDP2SRD5A1GAACASP3PDE3B
SCHEMBL21603408 0.73 LMNA (0.47) TDP2GAASMN1; SMN2DPP7CASP3
SCHEMBL1441245 0.73 CASP3 (0.43) TDP2SRD5A1CASP3PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113234079-B Nucleoside analogs as PRMT5 inhibitors 上海湃隆生物科技有限公司 2022-02-01 — — CN disclosed
CN-113234079-A Nucleoside analogs as PRMT5 inhibitors 上海湃隆生物科技有限公司 2021-08-10 — — CN disclosed
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