SCHEMBL21394922

SCHEMBL21394922

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
FFAR1 O14842 1/20 0.43
FPR1 P21462 2/20 0.41
FPR2 P25090 1/20 0.41
CES2 O00748 1/20 0.41
TP53 P04637 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FSCN1 Q16658 1/20 0.40
FAAH O00519 1/20 0.40
MAPT P10636 3/20 0.39
PARP1 P09874 2/20 0.39
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39
LMNA P02545 2/20 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
SCHEMBL29357533 1.00 RAB9A (0.55) RAB9AFFAR1FPR1FPR2CES2
SCHEMBL21394908 0.88 RAB9A (0.52) RAB9AFPR1CES2NPC1ALDH1A1
SCHEMBL29356951 0.88 RAB9A (0.55) RAB9AFFAR1FPR1FPR2TP53
SCHEMBL21394401 0.88 RAB9A (0.55) RAB9AFFAR1FPR1FPR2TP53
SCHEMBL21394559 0.86 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL29358581 0.86 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL29356718 0.83 RAB9A (0.45) RAB9AFPR1CES2TP53NPC1
SCHEMBL21394591 0.83 RAB9A (0.45) RAB9AFPR1CES2TP53NPC1
SCHEMBL21395166 0.82 RAB9A (0.44) RAB9AFFAR1FPR1FPR2CES2
SCHEMBL21395006 0.81 MEN1 (0.52) RAB9AFFAR1NPC1ALDH1A1SMN1; SMN2

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