SCHEMBL21394627

SCHEMBL21394627

Cn1cc(C(=O)Nc2ccc(Cc3cc(C(F)(F)F)ccn3)cn2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 10/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
DEGS1 O15121 1/20 0.43
PTGS1 P23219 3/20 0.42
F10 P00742 1/20 0.41
ALOX5 P09917 1/20 0.40
TBXAS1 P24557 1/20 0.40
EPHX2 P34913 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL29356843 0.86 DEGS1 (0.53) HIF1AEPAS1DEGS1PTGS1F10
SCHEMBL21394505 0.86 DEGS1 (0.53) HIF1AEPAS1DEGS1PTGS1F10
SCHEMBL21394633 0.83 TSHR (0.53) GLSHIF1AEPAS1
SCHEMBL29356925 0.79 GCK (0.44) DEGS1F10MAPT
SCHEMBL21394784 0.79 GCK (0.44) DEGS1F10MAPT
SCHEMBL29353782 0.79 KDM4E (0.51) DEGS1F10MAPT
SCHEMBL21394550 0.79 KDM4E (0.51) DEGS1F10MAPT
SCHEMBL21384385 0.79 CREBBP (0.42) DEGS1F10MAPT
SCHEMBL21394480 0.79 MAPT (0.44) DEGS1F10MAPT
SCHEMBL29357606 0.79 MAPT (0.44) DEGS1F10MAPT

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