SCHEMBL9200907

SCHEMBL9200907

OC(Cn1ccnc1)(c1ccc(F)cc1)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.48
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
KMT2A Q03164 1/20 0.44
HMOX1 P09601 2/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL9202252 0.85 CYP17A1 (0.48) CYP19A1CYP11B1CYP11B2KMT2APOLB
SCHEMBL11187671 0.84 CYP11B1 (0.55) CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL11020035 0.79 CYP11B1 (0.49) CYP19A1CYP11B1CYP11B2KMT2AHMOX1
SCHEMBL9202374 0.78 CYP11B1 (0.45) CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL11198093 0.78 CYP11B1 (0.40) CYP19A1CYP11B1CYP11B2HMOX1MAPK1
SCHEMBL9201200 0.78 CYP11B1 (0.56) CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL11265991 0.77 CYP11B1 (0.75) CYP19A1CYP11B1CYP11B2POLB
SCHEMBL11273678 0.76 CYP17A1 (0.50) CYP19A1CYP11B1CYP11B2POLB
SCHEMBL11079276 0.76 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2KMT2APOLB
SCHEMBL9200864 0.76 CYP19A1 (0.58) CYP19A1CYP11B1CYP11B2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513149-B1 PYRIDYLPHENYL NITROGEN HETEROCYCLE-SUBSTITUTED CARBINOLS AND DERIVATIVES THEREOF WITH ANTI-INFLAMMATORY ACTIVITY DU PONT MERCK PHARMA (US) 1995-12-13 EP disclosed
EP-0354539-B1 Antiinflammatory carbinoloimidazoles DU PONT MERCK PHARMA (US) 1995-04-05 EP disclosed
EP-0513149-A1 PYRIDYLPHENYL NITROGEN HETEROCYCLE-SUBSTITUTED CARBINOLS AND DERIVATIVES THEREOF WITH ANTI-INFLAMMATORY ACTIVITY. DU PONT MERCK PHARMA (US) 1992-11-19 EP disclosed
WO-1991011445-A1 PYRIDYLPHENYL NITROGEN HETEROCYCLE-SUBSTITUTED CARBINOLS AND DERIVATIVES THEREOF WITH ANTI-INFLAMMATORY ACTIVITY THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-08 WO disclosed
EP-0354539-A2 Antiinflammatory carbinoloimidazoles THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-02-14 EP disclosed
US-4859693-A Antiinflammatory carbinoloimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 US disclosed