SCHEMBL11269321

SCHEMBL11269321

COc1nncc(-c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
KMT2A Q03164 3/20 0.61
TSHR P16473 3/20 0.61
MEN1 O00255 2/20 0.61
ATM Q13315 2/20 0.61
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
GABRA1 P14867 1/20 0.44

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
SCHEMBL11326223 0.84 KMT2A (0.49) MAPTKMT2ATSHRMEN1ATM
SCHEMBL11281002 0.84 NPC1 (0.47) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11329014 0.82 ADORA2A (0.57) MAPTKMT2ATSHRMEN1ATM
SCHEMBL11335510 0.82 L3MBTL1 (0.49) MAPTKMT2ATSHRMEN1ATM
SCHEMBL11631313 0.82 MEN1 (0.39) MAPTKMT2ATSHRMEN1ATM
SCHEMBL11339337 0.82 RAC1 (0.49) MAPTKMT2ATSHRMEN1ATM
SCHEMBL11336031 0.82 PTGDR (0.49) MAPTKMT2ATSHRMEN1ATM
SCHEMBL11267480 0.81 TSHR (0.54) MAPTKMT2ATSHRMEN1ATM
SCHEMBL11329822 0.80 NOTUM (0.46) MAPTKMT2ATSHRMEN1ATM
SCHEMBL11270152 0.78 TSHR (0.42) MAPTKMT2ATSHRMEN1ATM

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-4310551-A Pharmacologically active substituted 1,2,4-triazines DIAMOND SHAMROCK CORPORATION (US) 1982-01-12 US claimed
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US claimed
US-4310551-A Pharmacologically active substituted 1,2,4-triazines DIAMOND SHAMROCK CORPORATION (US) 1982-01-12 US disclosed
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US disclosed
US-4157392-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS DIAMOND SHAMROCK CORPORATION (US) 1979-06-05 US disclosed