SCHEMBL11485877

SCHEMBL11485877

CC(=O)NC/C=C(/C)c1ccc(-c2ccc(Br)cc2Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
NQO2 P16083 1/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B1 P14061 1/20 0.34
HDAC1 Q13547 1/20 0.34
HPGD P15428 1/20 0.33
SETDB1 Q15047 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CTSL P07711 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ASF1A Q9Y294 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
SCHEMBL11485879 1.00 MTNR1A (0.40) MTNR1AMTNR1BNQO2MEN1MAPT
SCHEMBL11496113 0.85 MTNR1A (0.47) MTNR1AMTNR1BMEN1MAPTKMT2A
SCHEMBL11496110 0.85 MTNR1A (0.47) MTNR1AMTNR1BMEN1MAPTKMT2A
SCHEMBL11490951 0.84 MTNR1A (0.49) MTNR1AMTNR1BMAPTKMT2AALDH1A1
SCHEMBL11490955 0.84 MTNR1A (0.49) MTNR1AMTNR1BMAPTKMT2AALDH1A1
SCHEMBL11540592 0.82 ALOX15 (0.32) NQO2HSD17B1
SCHEMBL11540590 0.82 ALOX15 (0.32) NQO2HSD17B1
SCHEMBL11489699 0.80 ALOX15 (0.31)
SCHEMBL11496269 0.79 ALOX15 (0.41) MTNR1AMTNR1BMEN1MAPTKMT2A
SCHEMBL11496267 0.79 ALOX15 (0.41) MTNR1AMTNR1BMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 US disclosed