SCHEMBL21394746

SCHEMBL21394746

C=Cc1cnc(C(=O)Nc2ccc(Cc3ccc(F)c(F)c3)cn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRD4 O60885 1/20 0.36
EGFR P00533 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DEGS1 O15121 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL21395034 0.87 ABCB1 (0.37) NPC1RAB9ASMN1; SMN2BRD4ALDH1A1
SCHEMBL21394712 0.87 PPARG (0.41) PPARGNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL21394656 0.86 MEN1 (0.45) PPARGNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL21394717 0.85 CACNA1H (0.39) PPARGNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL21395010 0.83 TMPRSS4 (0.44) PPARGNPC1RAB9AKCNQ3KCNQ2
SCHEMBL21395019 0.78 PARP1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21395025 0.77 NPC1 (0.45) PPARGNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL21394713 0.76 NPC1 (0.44) PPARGNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL21394650 0.76 PARP1 (0.41) PPARGNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21394724 0.75 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1PKM

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