SCHEMBL27477006

SCHEMBL27477006

CNC1=CC(NC)(NC)Nc2c(Cl)cc(-c3cccc([N+](=O)[O-])c3)cc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.46
▸ TDP2 O95551 2/20 0.42
▸ GSK3B P49841 5/20 0.38
▸ GSK3A P49840 4/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPT P10636 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
SCHEMBL27474216 0.87 PGR (0.46) PGRTDP2GSK3BMAPT
SCHEMBL27493196 0.86 PGR (0.45) PGRTDP2GSK3BALDH1A1MAPT
SCHEMBL27479855 0.84 PGR (0.60) PGRTDP2TDP1MAPT
SCHEMBL27474213 0.82 PGR (0.43) PGRTDP2GSK3BGSK3ACNR1
SCHEMBL4172718 0.78 PGR (0.67) PGRTDP2ALDH1A1TDP1
SCHEMBL27494363 0.77 PGR (0.44) PGRTDP2GSK3BGSK3AALDH1A1
SCHEMBL27491175 0.73 PGR (0.46) PGRTDP2GSK3BGSK3AALDH1A1
SCHEMBL9807399 0.67 GSK3A (0.57) GSK3BGSK3ACNR1ALDH1A1TDP1
SCHEMBL3806617 0.66 HSD17B10 (0.63) PGRCNR1ALDH1A1TDP1MAPT
SCHEMBL4180267 0.66 PGR (0.70) PGRTDP2ALDH1A1TDP1MAPT

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-1172917-C Steroid receptor modulator compounds and methods ��λ��ҩ��ɷ����޹�˾ 2004-10-27 — — CN claimed
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