SCHEMBL21394739

SCHEMBL21394739

Cn1nc(C(=O)Nc2ccc(Cc3cc(F)cc(C(F)F)c3)cn2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NTRK1 P04629 1/20 0.37
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
GRM5 P41594 3/20 0.36
HTT P42858 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
SCHEMBL21394572 0.91 TSHR (0.44) TSHRL3MBTL1MAPTALDH1A1TDP1
SCHEMBL29357109 0.91 TSHR (0.44) TSHRL3MBTL1MAPTALDH1A1TDP1
SCHEMBL21394738 0.88 TSHR (0.45) TSHRL3MBTL1MAPTALDH1A1TDP1
SCHEMBL21394626 0.88 L3MBTL1 (0.46) TSHRL3MBTL1MAPTALDH1A1TDP1
SCHEMBL29357041 0.88 L3MBTL1 (0.46) TSHRL3MBTL1MAPTALDH1A1TDP1
SCHEMBL21395145 0.85 L3MBTL1 (0.43) TSHRL3MBTL1MAPTALDH1A1TDP1
SCHEMBL29356991 0.85 TSHR (0.47) TSHRL3MBTL1MAPTALDH1A1TDP1
SCHEMBL21394641 0.85 TSHR (0.47) TSHRL3MBTL1MAPTALDH1A1TDP1
SCHEMBL21394634 0.84 TSHR (0.43) TSHRL3MBTL1MAPTALDH1A1TDP1
SCHEMBL21394628 0.84 ALDH1A1 (0.41) TSHRL3MBTL1MAPTALDH1A1TDP1

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