SCHEMBL27491886

SCHEMBL27491886

CNC1=CC(NC)(NC)Nc2ccc(-c3sccc3C)cc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.58
▸ CYP2A6 P11509 7/20 0.37
▸ NR3C1 P04150 2/20 0.36
▸ NR3C2 P08235 2/20 0.36
▸ AR P10275 2/20 0.36
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2B6 P20813 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2E1 P05181 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ RIPK3 Q9Y572 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
SCHEMBL27492595 0.78 PGR (0.50) PGRNR3C1AR
SCHEMBL27475516 0.75 PDE3B (0.43) PGRNR3C1NR3C2AR
SCHEMBL27475517 0.74 DYRK1A (0.34) PGR
SCHEMBL4176825 0.74 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL27475514 0.73 PGR (0.32) PGRNR3C1AR
SCHEMBL27610141 0.73 MEN1 (0.37) —
SCHEMBL27473389 0.72 TDP2 (0.43) CYP2C9
SCHEMBL27491175 0.72 PGR (0.46) PGRARCYP3A4
SCHEMBL27475515 0.71 LMNA (0.38) CYP3A4CYP2D6
SCHEMBL27477419 0.70 BRD4 (0.36) PGR

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
Send feedback