SCHEMBL2640197

SCHEMBL2640197

CC(NC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)(c1ccccc1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.63
ALDH1A1 P00352 6/20 0.60
LMNA P02545 6/20 0.60
CYP3A4 P08684 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 5/20 0.60
MAPK1 P28482 4/20 0.60
CYP2C9 P11712 2/20 0.60
TSHR P16473 2/20 0.60
HIF1A Q16665 2/20 0.60
ABCB11 O95342 2/20 0.60
SHBG P04278 2/20 0.60
SERPINA6 P08185 2/20 0.60
NR1I2 O75469 2/20 0.60
NR3C1 P04150 2/20 0.60
PGR P06401 2/20 0.60
NR3C2 P08235 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL8074444 1.00 SRD5A2 (0.63) SRD5A2ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL2640199 1.00 SRD5A2 (0.63) SRD5A2ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL8064116 0.91 SRD5A2 (0.64) SRD5A2ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL8064125 0.91 SRD5A2 (0.64) SRD5A2ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL8377385 0.90 LMNA (0.64) SRD5A2ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL8377389 0.90 LMNA (0.64) SRD5A2ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL8994186 0.87 LMNA (0.68) SRD5A2ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL8994192 0.87 LMNA (0.68) SRD5A2ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL6263255 0.85 LMNA (0.73) SRD5A2ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL6263252 0.85 LMNA (0.73) SRD5A2ALDH1A1LMNACYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H10506411-A 1998-06-23 JP claimed
EP-0782582-A1 EPIMERS OF (22RS)-N-(1,1,1-TRIFLUORO-2-PHENYLPROP-2-YL)-3-OXO-4-AZA-5$g(a)-ANDROST-1-ENE-17$g(b)-CARBOXAMIDE PHARMACIA & UPJOHN S.p.A. (IT) 1997-07-09 EP claimed
WO-1997004002-A1 EPIMERS OF (22RS)-N-(1,1,1-TRIFLUORO-2-PHENYLPROP-2-YL)-3-OXO-4-AZA-5α-ANDROST-1-ENE-17β-CARBOXAMIDE PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-06 WO claimed
EP-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 EP disclosed
EP-0902790-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1999-03-24 EP disclosed
WO-1997040062-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.P.A. (IT) 1997-10-30 WO disclosed
EP-0782582-A1 EPIMERS OF (22RS)-N-(1,1,1-TRIFLUORO-2-PHENYLPROP-2-YL)-3-OXO-4-AZA-5$g(a)-ANDROST-1-ENE-17$g(b)-CARBOXAMIDE PHARMACIA & UPJOHN S.p.A. (IT) 1997-07-09 EP disclosed
WO-1997004002-A1 EPIMERS OF (22RS)-N-(1,1,1-TRIFLUORO-2-PHENYLPROP-2-YL)-3-OXO-4-AZA-5α-ANDROST-1-ENE-17β-CARBOXAMIDE PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-06 WO disclosed
EP-0721460-A1 3-CARBOXYSTEROIDS WITH A FLUORINATED SIDE CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1996-07-17 EP disclosed
WO-1996003420-A1 3-CARBOXYSTEROIDS WITH A FLUORINATED SIDE CHAIN PHARMACIA S.P.A. (IT) 1996-02-08 WO disclosed