SCHEMBL11749723

SCHEMBL11749723

Cc1cc(C)c2[nH]c(CC#N)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ KMT2A Q03164 5/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ATM Q13315 2/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 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
SCHEMBL11583058 0.84 GAA (0.34) GAAKMT2APOLBFASN
SCHEMBL4363225 0.80 ADORA1 (0.54) GAAADORA1KMT2AATMMAPT
SCHEMBL29733018 0.77 EGFR (0.39) GAAKMT2AL3MBTL1MAPTMEN1
SCHEMBL24553999 0.77 EGFR (0.39) GAAKMT2AL3MBTL1MAPTMEN1
SCHEMBL13907870 0.77 KMT2A (0.40) ADORA1KMT2AATMMAPTMEN1
SCHEMBL11749738 0.75 GAA (0.40) TSHRGAAKMT2AALOX15ATM
SCHEMBL13907881 0.75 NPC1 (0.37) TSHRADORA1KMT2AATMMAPT
SCHEMBL8985172 0.74 KMT2A (0.49) TSHRGAAKMT2AALOX15L3MBTL1
SCHEMBL13907874 0.74 CACNA1H (0.37) ADORA1KMT2AATMMAPTMEN1
SCHEMBL6311638 0.73 KMT2A (0.62) GAAKMT2AATMMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009034029-A2 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-19 — — WO disclosed
US-4051099-A ISOINDOLES CIBA-GEIGY CORPORATION (US) 1977-09-27 — — US disclosed
US-3994899-A METHINE CIBA-GEIGY CORPORATION (US) 1976-11-30 — — US disclosed
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