SCHEMBL5046841

SCHEMBL5046841

O=S(=O)(Nc1c[c]ccc1)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.55
ITGA1 P56199 1/20 0.49
PKM P14618 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
IL1RN P18510 1/20 0.46
KEAP1 Q14145 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
IDO1 P14902 1/20 0.45
AR P10275 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL965226 0.85 KEAP1 (0.66) PKMKMT2AMEN1ALDH1A1IL1RN
SCHEMBL751419 0.84 CYP19A1 (0.63) PKMKMT2AMEN1ALDH1A1IL1RN
SCHEMBL10774342 0.84 KMT2A (0.65) PKMKMT2AMEN1ALDH1A1IL1RN
SCHEMBL28821888 0.84 UQCRB (0.54) HSD17B2PKMKMT2AMEN1ALDH1A1
SCHEMBL5041834 0.84 MEN1 (0.55) PKMKMT2AMEN1ALDH1A1KEAP1
SCHEMBL3332937 0.84 CA12 (0.65) KMT2AMEN1ALDH1A1KEAP1CA1
SCHEMBL5042029 0.83 PGR (0.53) HSD17B2PKMKMT2AMEN1IL1RN
SCHEMBL5036917 0.83 UQCRB (0.56) PKMKMT2AMEN1ALDH1A1IL1RN
SCHEMBL5044522 0.81 CYP19A1 (0.55) PKMKMT2AMEN1ALDH1A1IDO1
SCHEMBL5044708 0.80 CYP19A1 (0.66) PKMKMT2AMEN1ALDH1A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250325-B1 PHENANTHRIDINE-N-OXIDES NYCOMED GMBH (DE) 2008-05-07 EP disclosed
EP-1250325-A1 PHENANTHRIDINE-N-OXIDES ALTANA Pharma AG (DE) 2002-10-23 EP disclosed
EP-0889886-B1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION ALTANA PHARMA AG (DE) 2002-09-18 EP disclosed
WO-2001051470-A1 PHENANTHRIDINE-N-OXIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-07-19 WO disclosed
US-6127378-A A PHOSPHODIESTERASE ENZYME INHIBITOR AS BRONCHIAL THERAPEUTICS, AN ANTIINFLAMMATORY AGENT TREATING ASTHMA PROPHYLAXIS, SKIN DISORDERS, INTESTINE DISORDERS, EYE DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, JOINTS DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-10-03 US disclosed
EP-0889886-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-01-13 EP disclosed
WO-1997035854-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-10-02 WO disclosed