SCHEMBL11329014

SCHEMBL11329014

COc1nncc(-c2ccc(Br)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.57
ADORA1 P30542 1/20 0.57
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TSHR P16473 2/20 0.41
ATM Q13315 2/20 0.41
SLC2A1 P11166 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MCL1 Q07820 2/20 0.38
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
METAP2 P50579 1/20 0.37
ACP1 P24666 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
SCHEMBL11281002 0.84 NPC1 (0.47) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11335510 0.83 L3MBTL1 (0.49) ADORA2AADORA1MAPTALDH1A1SMN1; SMN2
SCHEMBL11269321 0.82 MAPT (0.61) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11631313 0.79 MEN1 (0.39) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL11339510 0.77 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11339337 0.76 RAC1 (0.49) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11325516 0.73 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3398538 0.73 ADORA2A (1.00) ADORA2AADORA1MAPTALDH1A1SMN1; SMN2
SCHEMBL11337642 0.72 ALDH1A1 (0.71) ADORA2AADORA1MAPTALDH1A1SMN1; SMN2
SCHEMBL11336031 0.72 PTGDR (0.49) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US disclosed