SCHEMBL21394774

SCHEMBL21394774

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
RAB9A P51151 1/20 0.42
KCNH2 Q12809 1/20 0.42
GPR52 Q9Y2T5 6/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NR3C2 P08235 1/20 0.40
SCD O00767 1/20 0.39
ABL1 P00519 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
SCHEMBL21394604 0.90 RAB9A (0.43) PTGS1RAB9A
SCHEMBL29358522 0.90 RAB9A (0.43) PTGS1RAB9A
SCHEMBL21394638 0.89 RAB9A (0.42) PTGS1RAB9AGPR52
SCHEMBL21394559 0.88 RAB9A (0.44) RAB9AMEN1KMT2ANR3C2
SCHEMBL29358581 0.88 RAB9A (0.44) RAB9AMEN1KMT2ANR3C2
SCHEMBL22479693 0.87 RAB9A (0.45) RAB9AABL1
SCHEMBL21384513 0.86 RAB9A (0.42) PTGS1RAB9AGPR52
SCHEMBL21394581 0.86 RAB9A (0.43) RAB9AKCNH2GPR52MEN1KMT2A
SCHEMBL21395053 0.86 RAB9A (0.44) RAB9AMEN1KMT2A
SCHEMBL21394773 0.86 RAB9A (0.44) RAB9AMEN1KMT2A

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 8 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
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP 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