SCHEMBL21394857

SCHEMBL21394857

Cn1cc(C(=O)Nc2ccc(Cc3cccc(C#N)c3)cn2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.46
SIRT2 Q8IXJ6 1/20 0.42
GRM5 P41594 1/20 0.41
DEGS1 O15121 1/20 0.41
F10 P00742 1/20 0.41
GCK P35557 1/20 0.40
IDH1 O75874 1/20 0.40
EP300 Q09472 1/20 0.40
BRD4 O60885 1/20 0.40
VNN1 O95497 2/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
SNCA P37840 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
SCHEMBL29357122 1.00 CREBBP (0.46) CREBBPSIRT2GRM5DEGS1F10
SCHEMBL21395054 0.87 GCK (0.41) DEGS1GCK
SCHEMBL29358537 0.87 GCK (0.41) DEGS1GCK
SCHEMBL21394648 0.87 SIRT2 (0.43) SIRT2DEGS1F10EP300
SCHEMBL21394601 0.85 NPC1 (0.46) CREBBPDEGS1GCKSNCA
SCHEMBL29356936 0.85 NPC1 (0.46) CREBBPDEGS1GCKSNCA
SCHEMBL29356860 0.85 ALDH1A1 (0.48) CREBBPF10
SCHEMBL21394825 0.85 ALDH1A1 (0.48) CREBBPF10
SCHEMBL21394990 0.84 DEGS1 (0.41) SIRT2DEGS1F10GCKEP300
SCHEMBL21395018 0.84 FSCN1 (0.41) CREBBPDEGS1F10GCKEP300

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