SCHEMBL242

SCHEMBL242

NC(c1ccccc1)n1ccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.67
CYP17A1 P05093 10/20 0.57
MEN1 O00255 1/20 0.57
NR1I2 O75469 1/20 0.57
USP2 O75604 1/20 0.57
ABCB11 O95342 1/20 0.57
ALDH1A1 P00352 1/20 0.57
PLA2G1B P04054 1/20 0.57
TP53 P04637 1/20 0.57
PGR P06401 1/20 0.57
HSP90AA1 P07900 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
IDO1 P14902 1/20 0.57
HPGD P15428 1/20 0.57
MAOA P21397 1/20 0.57
CNR1 P21554 1/20 0.57
HTR2A P28223 1/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57

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
SCHEMBL738495 0.80 CYP19A1 (1.00) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL5321586 0.80 CYP19A1 (0.71) CYP19A1CYP17A1MEN1NR1I2USP2
Bromide SCHEMBL28170216 0.78 CYP19A1 (0.96) CYP19A1CYP17A1MEN1NR1I2USP2
Hydrochloric Acid SCHEMBL28169692 0.78 CYP19A1 (0.96) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL23234111 0.77 CYP17A1 (0.81) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL27510034 0.77 CYP19A1 (0.67) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL27942334 0.77 CYP19A1 (0.67) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL27784193 0.77 CYP17A1 (0.81) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL4283649 0.77 CYP19A1 (0.67) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL4043257 0.77 CYP17A1 (0.81) CYP19A1CYP17A1MEN1NR1I2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101212898-A Insecticidal substituted aminoalkyl heterocyclic and heteroaryl derivatives BAYER CROPSCIENCE AG (DE) 2008-07-02 CN disclosed
EP-0733366-B1 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics DU PONT (US) 1998-04-01 EP disclosed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
EP-0253310-B1 Angiotensin II receptor blocking imidazoles DU PONT (US) 1994-10-26 EP disclosed
US-5155118-A Administering angiotensin inhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-13 US disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed