SCHEMBL21456024

SCHEMBL21456024

CCOC(=O)Cc1ccc(F)cc1OOC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PTGS2 P35354 3/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ TBXAS1 P24557 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAOB P27338 1/20 0.37

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
SCHEMBL18642486 0.88 DPP4 (0.46) DPP4MEN1KMT2ANPSR1POLB
SCHEMBL23229180 0.85 TBXAS1 (0.43) DPP4MEN1KMT2ANPSR1POLB
SCHEMBL21455279 0.83 ALDH1A1 (0.44) DPP4MEN1KMT2APOLBHPGD
SCHEMBL21455802 0.82 ALDH1A1 (0.42) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL6343901 0.81 DPP4 (0.47) DPP4MEN1KMT2ANPSR1POLB
SCHEMBL23617338 0.81 MEN1 (0.39) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL18642529 0.80 EGFR (0.47) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL16964144 0.80 MEN1 (0.44) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL29853015 0.80 EGFR (0.47) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL706766 0.80 ALDH1A1 (0.51) MEN1KMT2ANPSR1POLBHPGD

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
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 — — WO disclosed
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