SCHEMBL21394401

SCHEMBL21394401

CN1N=C(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cc2)CCC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
FFAR1 O14842 1/20 0.43
PDE4D Q08499 1/20 0.41
FPR1 P21462 2/20 0.41
FPR2 P25090 2/20 0.41
FSCN1 Q16658 1/20 0.40
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNQ2 O43526 1/20 0.40
FAAH O00519 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
CACNA1G O43497 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
PARP1 P09874 1/20 0.39
MEN1 O00255 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
SCHEMBL29356951 1.00 RAB9A (0.55) RAB9AFFAR1PDE4DFPR1FPR2
SCHEMBL29357533 0.88 RAB9A (0.55) RAB9AFFAR1FPR1FPR2FSCN1
SCHEMBL21394922 0.88 RAB9A (0.55) RAB9AFFAR1FPR1FPR2FSCN1
SCHEMBL21394665 0.87 RAB9A (0.50) RAB9AFSCN1ALDH1A1L3MBTL1KCNQ2
SCHEMBL21394773 0.86 RAB9A (0.44) RAB9AALDH1A1MAPTPARP1MEN1
SCHEMBL29354631 0.86 RAB9A (0.44) RAB9AALDH1A1MAPTPARP1MEN1
SCHEMBL29356245 0.86 RAB9A (0.46) RAB9AFSCN1ALDH1A1MAPTKDM4E
SCHEMBL21394444 0.86 RAB9A (0.46) RAB9AFSCN1ALDH1A1MAPTKDM4E
SCHEMBL22479453 0.85 RAB9A (0.51) RAB9AFSCN1ALDH1A1L3MBTL1MAPT
SCHEMBL21394570 0.85 RAB9A (0.45) RAB9AMAPTKMT2A

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 9 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-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