SCHEMBL21394591

SCHEMBL21394591

CN1N=C(C(=O)Nc2ccc(Cc3cccc(F)c3)nn2)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
BRD4 O60885 1/20 0.39
CES2 O00748 1/20 0.37
IDH1 O75874 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NR3C2 P08235 1/20 0.35
FSCN1 Q16658 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GLS O94925 2/20 0.35
NPC1 O15118 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
FPR1 P21462 1/20 0.35

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
SCHEMBL29356718 1.00 RAB9A (0.45) RAB9ABRD4CES2IDH1GPR52
SCHEMBL21394590 0.88 RAB9A (0.45) RAB9AGLSNPC1POLB
SCHEMBL29353835 0.88 RAB9A (0.45) RAB9AMAPTFSCN1GLS
SCHEMBL29353907 0.88 RAB9A (0.45) RAB9AGLSNPC1POLB
SCHEMBL21394583 0.88 RAB9A (0.45) RAB9AMAPTFSCN1GLS
SCHEMBL29358510 0.88 RAB9A (0.47) RAB9ABRD4MAPTALDH1A1MEN1
SCHEMBL21394513 0.88 RAB9A (0.47) RAB9ABRD4MAPTALDH1A1MEN1
SCHEMBL21394581 0.88 RAB9A (0.43) RAB9AGPR52MAPTALDH1A1NR3C2
SCHEMBL21394501 0.87 RAB9A (0.44) RAB9ABRD4IDH1GPR52MAPT
SCHEMBL29358369 0.87 RAB9A (0.44) RAB9ABRD4IDH1GPR52MAPT

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