SCHEMBL11245711

SCHEMBL11245711

Cc1ccc(C)c(/C=C/c2cc(=O)n3cc(C(=O)O)ccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPG P10696 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2A Q12879 2/20 0.36
▸ NTRK1 P04629 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ BRD4 O60885 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
SCHEMBL11245712 1.00 ALPG (0.42) ALPGMEN1KMT2AAKR1B1ALOX5
SCHEMBL11263153 0.91 ALPG (0.44) ALPGMEN1KMT2AAKR1B1MAPT
SCHEMBL11263149 0.91 ALPG (0.44) ALPGMEN1KMT2AAKR1B1MAPT
SCHEMBL11250680 0.88 ALPG (0.42) ALPGKMT2AAKR1B1MAPTPOLB
SCHEMBL11250685 0.88 ALPG (0.42) ALPGKMT2AAKR1B1MAPTPOLB
SCHEMBL11249842 0.85 KDM4E (0.41) ALPGMEN1KMT2AAKR1B1MAPT
SCHEMBL11249851 0.85 KDM4E (0.41) ALPGMEN1KMT2AAKR1B1MAPT
SCHEMBL11257713 0.82 PTGS1 (0.42) ALPGAKR1B1ALOX5PTGS1PTGS2
SCHEMBL11257721 0.82 PTGS1 (0.42) ALPGAKR1B1ALOX5PTGS1PTGS2
SCHEMBL11263718 0.82 ALPG (0.47) ALPGMEN1KMT2AAKR1B1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4341780-A Substituted pyrido [1,2-a] pyrimidines useful as anti-allergic, anti-ulcer and anti-diabetic agents FARMITALIA CARLO ERBA S.P.A. (IT) 1982-07-27 — — US disclosed
US-4310526-A Substituted 6,7-methylene pyrido[1,2-a]pyrimidines useful as anti-allergic and anti-ulcer agents FARMITALIA CARLO ERBA S.P.A. (IT) 1982-01-12 — — US disclosed
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