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
SCHEMBL5985141 0.73 CYP11B2 (0.45) SRD5A1GAASMN1; SMN2CYP11B2DPP7

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