SCHEMBL21395028

SCHEMBL21395028

Cn1nc(C(=O)Nc2ccc(Cc3cc(F)c(F)c(C#N)c3)cn2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EP300 Q09472 3/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CACNA1H O95180 6/20 0.37
NTRK1 P04629 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 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
SCHEMBL21394742 0.92 MAPT (0.44) MAPTALDH1A1TSHRL3MBTL1RAB9A
SCHEMBL21394634 0.92 TSHR (0.43) MAPTALDH1A1TSHRL3MBTL1RAB9A
SCHEMBL21395128 0.88 L3MBTL1 (0.43) MAPTALDH1A1TSHRL3MBTL1RAB9A
SCHEMBL29355468 0.86 L3MBTL1 (0.46) MAPTALDH1A1TSHRL3MBTL1RAB9A
SCHEMBL21394578 0.86 L3MBTL1 (0.46) MAPTALDH1A1TSHRL3MBTL1RAB9A
SCHEMBL21394628 0.85 ALDH1A1 (0.41) MAPTALDH1A1TSHRL3MBTL1EP300
SCHEMBL29357585 0.85 ALDH1A1 (0.41) MAPTALDH1A1TSHRL3MBTL1EP300
SCHEMBL21394707 0.85 MAPT (0.42) MAPTALDH1A1TSHRL3MBTL1EP300
SCHEMBL21394572 0.85 TSHR (0.44) MAPTALDH1A1TSHRL3MBTL1RAB9A
SCHEMBL29357109 0.85 TSHR (0.44) MAPTALDH1A1TSHRL3MBTL1RAB9A

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