SCHEMBL21394512

SCHEMBL21394512

Cn1nc(C(=O)Nc2ccc(Nc3cccc(F)c3)cn2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 2/20 0.44
NTRK1 P04629 2/20 0.43
HTR1F P30939 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
TEK Q02763 1/20 0.41
AHR P35869 1/20 0.41

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
SCHEMBL22479552 0.82 MEN1 (0.52) TSHRRAB9ANPC1L3MBTL1MEN1
SCHEMBL29359147 0.81 TSHR (0.47) TSHRRAB9ANPC1L3MBTL1MEN1
SCHEMBL21394478 0.81 TSHR (0.47) TSHRRAB9ANPC1L3MBTL1MEN1
SCHEMBL29356991 0.81 TSHR (0.47) TSHRRAB9ANPC1L3MBTL1MEN1
SCHEMBL21394809 0.81 TSHR (0.47) TSHRRAB9ANPC1L3MBTL1MEN1
SCHEMBL21394641 0.81 TSHR (0.47) TSHRRAB9ANPC1L3MBTL1MEN1
SCHEMBL21394995 0.76 NTRK1 (0.45) TSHRRAB9ANPC1L3MBTL1MEN1
SCHEMBL21394993 0.76 NTRK1 (0.43) TSHRRAB9ANPC1L3MBTL1MEN1
SCHEMBL21395157 0.75 CYP3A4 (0.47) TSHRL3MBTL1
SCHEMBL21394572 0.75 TSHR (0.44) TSHRRAB9ANPC1L3MBTL1MEN1

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