SCHEMBL21394699

SCHEMBL21394699

CC(O)c1ccc(C(=O)Nc2ccc(Cc3ccc(F)c(F)c3)cn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.42
CACNA1H O95180 5/20 0.41
CACNA1G O43497 3/20 0.41
CACNA1I Q9P0X4 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PDE2A O00408 1/20 0.39
PYGL P06737 1/20 0.38
DEGS1 O15121 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.38
BRD4 O60885 1/20 0.38
MAPK1 P28482 1/20 0.37
F10 P00742 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
BACE1 P56817 2/20 0.36

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
SCHEMBL21394717 0.88 CACNA1H (0.39) FFAR2CACNA1HCACNA1GCACNA1INPC1
SCHEMBL21394929 0.86 NPC1 (0.39) FFAR2CACNA1HCACNA1GCACNA1INPC1
SCHEMBL21394700 0.86 ALDH1A1 (0.46) FFAR2NPC1RAB9APYGLDEGS1
SCHEMBL21394702 0.83 MAOB (0.44) NPC1RAB9ASMN1; SMN2DEGS1F10
SCHEMBL21395182 0.83 GSK3B (0.44) NPC1RAB9ASMN1; SMN2DEGS1F10
SCHEMBL21394653 0.82 RAB9A (0.42) NPC1RAB9ASMN1; SMN2DEGS1TDP1
SCHEMBL21395025 0.82 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TDP1PPARG
SCHEMBL21394645 0.82 DEGS1 (0.42) DEGS1F10ALDH1A1
SCHEMBL21394713 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TDP1PPARG
SCHEMBL21395072 0.80 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TDP1PPARG

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