SCHEMBL21394742

SCHEMBL21394742

Cn1nc(C(=O)Nc2ccc(Cc3ccc(F)c(C#N)c3)cn2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CACNA1H O95180 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
FSCN1 Q16658 1/20 0.40
GRM4 Q14833 1/20 0.39
NTRK1 P04629 1/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 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
GPR6 P46095 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
SIRT2 Q8IXJ6 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
SCHEMBL21395028 0.92 MAPT (0.45) MAPTALDH1A1CACNA1HL3MBTL1TSHR
SCHEMBL21394578 0.88 L3MBTL1 (0.46) MAPTALDH1A1CACNA1HL3MBTL1TSHR
SCHEMBL29355468 0.88 L3MBTL1 (0.46) MAPTALDH1A1CACNA1HL3MBTL1TSHR
SCHEMBL21394701 0.87 CACNA1H (0.41) CACNA1HL3MBTL1FSCN1GRM4RAB9A
SCHEMBL29356645 0.87 L3MBTL1 (0.47) MAPTALDH1A1L3MBTL1TSHRNTRK1
SCHEMBL21394832 0.87 L3MBTL1 (0.47) MAPTALDH1A1L3MBTL1TSHRNTRK1
SCHEMBL21394987 0.85 SIRT2 (0.41) MAPTALDH1A1L3MBTL1TSHRNTRK1
SCHEMBL21395145 0.85 L3MBTL1 (0.43) MAPTALDH1A1L3MBTL1TSHRNTRK1
SCHEMBL21395192 0.85 L3MBTL1 (0.43) CACNA1HL3MBTL1TSHRGRM4NTRK1
SCHEMBL21394634 0.84 TSHR (0.43) MAPTALDH1A1L3MBTL1TSHRNTRK1

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