SCHEMBL28709394

SCHEMBL28709394

O=C(NOCc1ccsc1Br)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.42
MAPK10 P53779 2/20 0.41
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
HTT P42858 2/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
NPY5R Q15761 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL8885102 0.72 MTNR1A (0.57) POLBSMN1; SMN2HDAC1
SCHEMBL19273894 0.71 FFAR4 (0.53) FFAR4
SCHEMBL28309401 0.70 NPC1 (0.57) LMNASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL8883232 0.70 EPHX1 (0.52) KMT2AMEN1RAB9A
SCHEMBL19260442 0.69 FFAR4 (0.51) FFAR4KMT2ALMNASMN1; SMN2
SCHEMBL8633497 0.68 ALDH1A1 (0.43) FFAR4MAPK10KMT2APOLBLMNA
SCHEMBL8884408 0.68 MTNR1A (0.65) KMT2APOLBHTTLMNASMN1; SMN2
SCHEMBL27857859 0.67 FFAR4 (0.43) FFAR4
SCHEMBL8883839 0.67 MTNR1A (0.57) KMT2AHTTLMNASMN1; SMN2HPGD
SCHEMBL8884072 0.67 PSMB8 (0.46) KMT2AHTTLMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071562-B Fused 1, 4-oxazepine and related analogs as BET bromodomain inhibitors 密执安大学评议会 2022-03-22 CN disclosed