SCHEMBL21394629

SCHEMBL21394629

Cn1nc(C(=O)Nc2ccc(Cc3cccc(C#N)c3)cn2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
GRIA2 P42262 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRM5 P41594 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EP300 Q09472 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDH1 O75874 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL29358376 1.00 SIRT2 (0.42) SIRT2TSHRALDH1A1MAPTGRIA2
SCHEMBL21395122 0.88 L3MBTL1 (0.43) SIRT2TSHRALDH1A1MAPTNPC1
SCHEMBL21394628 0.87 ALDH1A1 (0.41) SIRT2TSHRALDH1A1MAPTNPC1
SCHEMBL29357585 0.87 ALDH1A1 (0.41) SIRT2TSHRALDH1A1MAPTNPC1
SCHEMBL21394760 0.86 L3MBTL1 (0.47) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL29354586 0.86 L3MBTL1 (0.47) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL29356991 0.85 TSHR (0.47) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL21394641 0.85 TSHR (0.47) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL21394987 0.84 SIRT2 (0.41) SIRT2TSHRALDH1A1MAPTEP300
SCHEMBL21394742 0.84 MAPT (0.44) SIRT2TSHRALDH1A1MAPTNPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
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