SCHEMBL8555796

SCHEMBL8555796

Cc1cc(I)cc2c1N(C)C(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
SRD5A1 P18405 6/20 0.38
SRD5A2 P31213 1/20 0.34
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
CYP19A1 P11511 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL22357572 0.86 BMPR1B (0.41) SRD5A1KMT2ATDP1BMPR1BBMPR1A
SCHEMBL8557832 0.81 SRD5A1 (0.39) BRD4SRD5A1SRD5A2KMT2ATDP1
SCHEMBL29332003 0.79 SRD5A1 (0.47) BRD4SRD5A1SRD5A2KMT2ACYP11B1
SCHEMBL8555101 0.71 SRD5A1 (0.46) BRD4SRD5A1KMT2ACYP11B1CYP11B2
SCHEMBL8556027 0.70 SRD5A1 (0.36) BRD4SRD5A1SRD5A2CYP11B1CYP11B2
SCHEMBL8554279 0.70 CYP11B2 (0.51) BRD4SRD5A1CYP11B1CYP11B2CYP19A1
SCHEMBL21831983 0.68 CYP11B2 (0.49) SRD5A1SRD5A2CYP11B1CYP11B2BMPR1B
SCHEMBL27540489 0.67 SRD5A1 (0.35) SRD5A1
SCHEMBL423546 0.67 CYP11B2 (0.44) BRD4SRD5A1CYP11B1CYP11B2CYP19A1
SCHEMBL14438071 0.67 SRD5A1 (0.42) BRD4SRD5A1KMT2ATDP1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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