SCHEMBL21394738

SCHEMBL21394738

Cn1nc(C(=O)Nc2ccc(Cc3cccc(C(F)F)c3)cn2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
EP300 Q09472 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
NTRK1 P04629 1/20 0.35

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
SCHEMBL21394739 0.88 TSHR (0.40) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL21394641 0.87 TSHR (0.47) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL29356991 0.87 TSHR (0.47) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL21394760 0.86 L3MBTL1 (0.47) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL29354586 0.86 L3MBTL1 (0.47) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL21395145 0.86 L3MBTL1 (0.43) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL29356856 0.84 ALDH1A1 (0.47) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL21394640 0.84 ALDH1A1 (0.47) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL21394578 0.83 L3MBTL1 (0.46) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL29355468 0.83 L3MBTL1 (0.46) TSHRTDP1KDM4EMEN1KMT2A

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