SCHEMBL21394717

SCHEMBL21394717

CC(O)c1cnc(C(=O)Nc2ccc(Cc3ccc(F)c(F)c3)cn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 6/20 0.39
CACNA1G O43497 4/20 0.39
CACNA1I Q9P0X4 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PPARG P37231 1/20 0.38
FFAR2 O15552 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
DEGS1 O15121 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.36
PDE2A O00408 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNQ3 O43525 1/20 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
SCHEMBL21394699 0.88 FFAR2 (0.42) CACNA1HCACNA1GCACNA1INPC1RAB9A
SCHEMBL21394712 0.86 PPARG (0.41) CACNA1HCACNA1GCACNA1INPC1RAB9A
SCHEMBL21394746 0.85 PPARG (0.39) CACNA1HCACNA1GCACNA1INPC1RAB9A
SCHEMBL21394656 0.85 MEN1 (0.45) NPC1RAB9APPARGSMN1; SMN2KDM4E
SCHEMBL21394645 0.83 DEGS1 (0.42) DEGS1KDM4EALDH1A1KCNQ3KCNQ2
SCHEMBL21395010 0.82 TMPRSS4 (0.44) NPC1RAB9APPARGDEGS1KCNQ3
SCHEMBL21394929 0.81 NPC1 (0.39) CACNA1HCACNA1GCACNA1INPC1RAB9A
SCHEMBL21395019 0.77 PARP1 (0.53) NPC1RAB9ASMN1; SMN2DEGS1KDM4E
SCHEMBL21394653 0.76 RAB9A (0.42) NPC1RAB9APPARGSMN1; SMN2DEGS1
SCHEMBL21395025 0.76 NPC1 (0.45) NPC1RAB9APPARGSMN1; SMN2ALDH1A1

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