SCHEMBL21395077

SCHEMBL21395077

Cn1cc(C(=O)Nc2ccc(Oc3cc(F)cc(F)c3)cn2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.51
RARG P13631 1/20 0.51
CYP3A4 P08684 4/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
GRM5 P41594 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL21395074 0.93 CYP3A4 (0.53) GCKRARGCYP3A4MEN1KMT2A
SCHEMBL21394862 0.91 GCK (0.52) GCKRARGMEN1POLBKMT2A
SCHEMBL29357283 0.91 GCK (0.52) GCKRARGMEN1POLBKMT2A
SCHEMBL21395088 0.88 MEN1 (0.44) GCKRARGCYP3A4MEN1POLB
SCHEMBL29355464 0.86 RAB9A (0.47) GCKCYP3A4MEN1KMT2AGRM5
SCHEMBL21394840 0.86 RAB9A (0.47) GCKCYP3A4MEN1KMT2AGRM5
SCHEMBL29354520 0.82 MEN1 (0.53) GCKMEN1KMT2AGRM5
SCHEMBL21394759 0.82 MEN1 (0.53) GCKMEN1KMT2AGRM5
SCHEMBL21395157 0.81 CYP3A4 (0.47) GCKRARGCYP3A4GRM5CYP1A2
SCHEMBL21394784 0.81 GCK (0.44) GCKRARGKDM4EABCB1ABCC1

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed