SCHEMBL21394929

SCHEMBL21394929

CC(O)c1ccc(C(=O)Nc2ccc(Cc3ccc(F)c(F)c3)cn2)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
PPARG P37231 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.36
FFAR2 O15552 1/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
F10 P00742 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
PKM P14618 1/20 0.35
STING1 Q86WV6 1/20 0.35
ENPP2 Q13822 1/20 0.35
GRM5 P41594 2/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL21394703 0.87 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2F10ALDH1A1
SCHEMBL21394699 0.86 FFAR2 (0.42) NPC1RAB9ASMN1; SMN2PPARGTDP1
SCHEMBL21394653 0.86 RAB9A (0.42) NPC1RAB9ASMN1; SMN2PPARGTDP1
SCHEMBL21394645 0.85 DEGS1 (0.42) F10ALDH1A1S1PR1S1PR3KDM4E
SCHEMBL21395072 0.84 NPC1 (0.42) NPC1RAB9ASMN1; SMN2PPARGTDP1
SCHEMBL21395146 0.81 KCNQ3 (0.44) NPC1RAB9ASMN1; SMN2PPARGTDP1
SCHEMBL21394717 0.81 CACNA1H (0.39) NPC1RAB9ASMN1; SMN2PPARGTDP1
SCHEMBL21394702 0.79 MAOB (0.44) NPC1RAB9ASMN1; SMN2F10ALDH1A1
SCHEMBL21395182 0.78 GSK3B (0.44) NPC1RAB9ASMN1; SMN2F10ALDH1A1
SCHEMBL21395025 0.77 NPC1 (0.45) NPC1RAB9ASMN1; SMN2PPARGTDP1

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