SCHEMBL21394549

SCHEMBL21394549

CN1N=C(C(=O)Nc2ccc(Cc3ccc(Cl)c(F)c3)cn2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.39
RIPK1 Q13546 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CSF1R P07333 1/20 0.36
MAOB P27338 1/20 0.36
F10 P00742 2/20 0.35
PARP1 P09874 2/20 0.35
ANO1 Q5XXA6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL29354561 1.00 RAB9A (0.44) RAB9ANPC1RIPK1GPR52SMN1; SMN2
SCHEMBL22479674 0.93 RAB9A (0.44) RAB9ANPC1RIPK1GPR52SMN1; SMN2
SCHEMBL21394660 0.91 RAB9A (0.47) RAB9ANPC1SMN1; SMN2CSF1RF10
SCHEMBL29357828 0.91 RAB9A (0.47) RAB9ANPC1SMN1; SMN2CSF1RF10
SCHEMBL21384478 0.90 RAB9A (0.46) RAB9ARIPK1GPR52CSF1RPARP1
SCHEMBL29356974 0.90 RAB9A (0.46) RAB9ARIPK1GPR52CSF1RPARP1
SCHEMBL21394472 0.88 RAB9A (0.47) RAB9ANPC1SMN1; SMN2F10PARP1
SCHEMBL29358624 0.88 RAB9A (0.47) RAB9ANPC1SMN1; SMN2F10PARP1
SCHEMBL21394586 0.87 RAB9A (0.47) RAB9ANPC1RIPK1SMN1; SMN2CSF1R
SCHEMBL21395043 0.87 RAB9A (0.47) RAB9AGPR52CSF1RPARP1ALDH1A1

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