SCHEMBL8557832

SCHEMBL8557832

CN1C(=O)CCc2cc(I)cc(F)c21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.39
CYP11B1 P15538 8/20 0.38
CYP11B2 P19099 8/20 0.38
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
SRD5A2 P31213 1/20 0.33
BRD4 O60885 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8555796 0.81 BRD4 (0.38) SRD5A1CYP11B1CYP11B2BMPR1BBMPR1A
SCHEMBL3035796 0.80 SRD5A1 (0.39) SRD5A1CYP11B1CYP11B2BMPR1BBMPR1A
SCHEMBL14779919 0.80 SRD5A1 (0.46) SRD5A1CYP11B1CYP11B2BMPR1BBMPR1A
SCHEMBL31635563 0.76 SRD5A1 (0.37) SRD5A1CYP11B1CYP11B2BMPR1BBMPR1A
SCHEMBL3044452 0.75 ALDH1A1 (0.40) SRD5A1CYP11B1CYP11B2KMT2A
SCHEMBL8551856 0.72 SRD5A1 (0.45) SRD5A1CYP11B1CYP11B2SRD5A2BRD4
SCHEMBL8553869 0.71 SRD5A1 (0.37) SRD5A1CYP11B1CYP11B2SRD5A2
SCHEMBL14778585 0.71 ROCK1 (0.38) SRD5A1CYP11B1CYP11B2
SCHEMBL8554774 0.70 CYP11B1 (0.40) SRD5A1CYP11B1CYP11B2
SCHEMBL8554279 0.69 CYP11B2 (0.51) SRD5A1CYP11B1CYP11B2BRD4

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
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO disclosed
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP disclosed