SCHEMBL21394584

SCHEMBL21394584

CN1N=C(C(=O)Nc2ccc(Cc3cccc(C(F)F)c3)cn2)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
PARP1 P09874 3/20 0.35
CSF1R P07333 1/20 0.35
ELANE P08246 3/20 0.34
MAPK1 P28482 1/20 0.34
EP300 Q09472 4/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
GFER P55789 1/20 0.33
TP53 P04637 1/20 0.33
DEGS1 O15121 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL29356922 1.00 RAB9A (0.42) RAB9APARP1CSF1RELANEMAPK1
SCHEMBL29358581 0.88 RAB9A (0.44) RAB9APARP1
SCHEMBL21394559 0.88 RAB9A (0.44) RAB9APARP1
SCHEMBL22479693 0.87 RAB9A (0.45) RAB9APARP1CSF1RDEGS1
SCHEMBL21394773 0.86 RAB9A (0.44) RAB9APARP1MAPK1
SCHEMBL29354631 0.86 RAB9A (0.44) RAB9APARP1MAPK1
SCHEMBL29353770 0.86 RAB9A (0.44) RAB9APARP1CSF1RMAPK1TP53
SCHEMBL21395053 0.86 RAB9A (0.44) RAB9APARP1CSF1RMAPK1TP53
SCHEMBL21394808 0.85 RAB9A (0.47) RAB9APARP1DEGS1
SCHEMBL29359190 0.85 RAB9A (0.47) RAB9APARP1DEGS1

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