SCHEMBL21394587

SCHEMBL21394587

Cn1nc(C(=O)Nc2ccc(Cc3cncc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL21394598 0.89 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL29354586 0.88 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21394760 0.88 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21394626 0.86 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL29357041 0.86 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL29356645 0.85 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21394832 0.85 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL29355468 0.84 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21394578 0.84 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21394631 0.84 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR

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