SCHEMBL27491175

SCHEMBL27491175

CNC1=CC(NC)(NC)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.46
▸ AR P10275 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP2 O95551 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ RPS6KA5 O75582 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ PIM1 P11309 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
SCHEMBL27479855 0.90 PGR (0.60) PGRNPC1MAPTTDP2MEN1
SCHEMBL27492595 0.82 PGR (0.50) PGRARALDH1A1NPC1MAPT
SCHEMBL27491525 0.81 PGR (0.60) PGRAR
SCHEMBL27475516 0.80 PDE3B (0.43) PGRARPDPK1ROCK2MAP4K4
SCHEMBL27475517 0.76 DYRK1A (0.34) PGRDYRK1A
SCHEMBL27474213 0.74 PGR (0.43) PGRALDH1A1NPC1MAPTTDP2
SCHEMBL27477419 0.74 BRD4 (0.36) PGRTDP2PDPK1
SCHEMBL27473389 0.73 TDP2 (0.43) TDP2CHEK1MAP4K4PIM1CDK8
SCHEMBL4186034 0.73 PGR (0.79) PGRARALDH1A1HSD17B10MAPT
SCHEMBL27610141 0.72 MEN1 (0.37) ALDH1A1RECQLMAPTMEN1KMT2A

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 4 patents. 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
CN-1626534-A Steroid receptor modulator compounds and methods LIGAND PHARM INC (US) 2005-06-15 — — CN disclosed
CN-1172917-C Steroid receptor modulator compounds and methods ��λ��ҩ��ɷ����޹�˾ 2004-10-27 — — CN disclosed
CN-1175247-A Steroid receptor modulator compounds and methods LIGAND PHARM INC (US) 1998-03-04 — — CN disclosed
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