SCHEMBL27585151

SCHEMBL27585151

Cc1ccc(C(=O)O)c(-c2cccnc2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MKNK1 Q9BUB5 5/20 0.49
▸ MKNK2 Q9HBH9 5/20 0.49
▸ KMO O15229 2/20 0.44
▸ DHODH Q02127 4/20 0.44
▸ GPR35 Q9HC97 2/20 0.42
▸ CYP2A6 P11509 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2E1 P05181 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ APP P05067 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HCAR3 P49019 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL27568453 0.83 ERN1 (0.42) HTTKDM4ELMNAALDH1A1HCAR2
SCHEMBL10789318 0.82 FABP4 (0.47) CYP3A4CYP2C9ALDH1A1
SCHEMBL27341172 0.81 MEN1 (0.40) KDM4EDHODHALDH1A1L3MBTL1
SCHEMBL27565330 0.81 SORT1 (0.42) KDM4ELMNAALDH1A1
SCHEMBL27287018 0.80 ACMSD (0.47) DHODHALDH1A1
SCHEMBL27532005 0.79 HCAR2 (0.44) HTTKDM4ELMNACYP2A6ALDH1A1
SCHEMBL28404845 0.79 KMO (0.57) HTTKDM4ELMNAMKNK1MKNK2
SCHEMBL27468806 0.78 GPR35 (0.49) HTTKDM4ELMNAMKNK1MKNK2
SCHEMBL27565351 0.77 POLB (0.41) HTTCYP2A6ALDH1A1HCAR2
SCHEMBL27864736 0.77 DHODH (0.41) HTTKDM4ELMNADHODHCYP3A4

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
CN-1392874-A Cyclic amidine compounds SUNTORY LTD (JP) 2003-01-22 — — CN claimed
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