SCHEMBL8090547

SCHEMBL8090547

CC(=O)Nc1cc(Br)c(=O)n(C2=C(C)C(C)(C)Oc3ccc([N+](=O)[O-])cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 6/20 0.35
MAPT P10636 5/20 0.35
CFTR P13569 1/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MCL1 Q07820 1/20 0.34
GAA P10253 4/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
TP53 P04637 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 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
SCHEMBL8084424 0.89 KMT2A (0.41) SMN1; SMN2KMT2AMAPTCFTRMEN1
SCHEMBL8077323 0.87 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL8085265 0.85 MEN1 (0.35) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL8085097 0.85 CFTR (0.38) SMN1; SMN2KMT2ACFTRMEN1ALDH1A1
SCHEMBL8189795 0.85 MEN1 (0.36) KMT2AMEN1ALDH1A1CYP3A4TDP1
SCHEMBL8077023 0.84 EGLN2 (0.36) KDM4ECYP1A2
SCHEMBL8088765 0.83 CYP3A4 (0.36) KMT2AMEN1ALDH1A1CYP3A4TDP1
SCHEMBL8090476 0.83 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMAPTCFTRMEN1
SCHEMBL8084420 0.82 CFTR (0.38) SMN1; SMN2KMT2AMAPTCFTRMEN1
SCHEMBL8085103 0.80 CFTR (0.41) SMN1; SMN2KMT2AMAPTCFTRMEN1

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed