SCHEMBL11270152

SCHEMBL11270152

CCCOc1nncc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL11340909 0.91 SOAT1 (0.47) TSHRLMNAMAPTALDH1A1NPC1
SCHEMBL11267480 0.87 TSHR (0.54) TSHRLMNAMAPTALDH1A1NPC1
SCHEMBL11631103 0.85 HSD17B10 (0.32) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL11269321 0.78 MAPT (0.61) TSHRLMNAMAPTALDH1A1NPC1
SCHEMBL16579456 0.78 MAPK8 (0.48) TSHRMAPTALDH1A1NPC1RAB9A
SCHEMBL11269464 0.77 ALDH1A1 (0.39) TSHRLMNAMAPTALDH1A1NPC1
SCHEMBL11634111 0.76 NPC1 (0.37) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11326223 0.71 KMT2A (0.49) TSHRLMNAMAPTALDH1A1NPC1
SCHEMBL11634343 0.70 KDR (0.39) TSHRLMNAMAPTALDH1A1NPC1
SCHEMBL21938127 0.69 GABRA1 (0.54) MAPTALDH1A1NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4157392-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS DIAMOND SHAMROCK CORPORATION (US) 1979-06-05 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