SCHEMBL30189977

SCHEMBL30189977

Cc1ccc(N/C=C(/C=O)[N+](=O)[O-])c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 6/20 0.38
HPGD P15428 3/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL21379482 1.00 MAPT (0.44) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL10466139 0.73 RAB9A (0.46) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19782941 0.67 MEN1 (0.71) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL10467190 0.67 RAB9A (0.42) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12426372 0.66 SMN1; SMN2 (0.54) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2813561 0.66 MAPT (0.34) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2970916 0.65 TSHR (0.67) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL1465687 0.63 RAB9A (0.49) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1703978 0.63 RAB9A (0.68) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2812134 0.63 KMT2A (0.50) MAPTRAB9ANPC1SMN1; SMN2LMNA

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-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed