SCHEMBL21394598

SCHEMBL21394598

Cn1nc(C(=O)Nc2ccc(Cc3ccc(Cl)cc3)cn2)ccc1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 4/20 0.50
TSHR P16473 3/20 0.50
NPC1 O15118 2/20 0.50
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL21394760 0.89 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2RAB9ATSHRNPC1
SCHEMBL29354586 0.89 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2RAB9ATSHRNPC1
SCHEMBL21394587 0.89 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2RAB9ATSHRNPC1
SCHEMBL21394832 0.88 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2RAB9ATSHRNPC1
SCHEMBL29356645 0.88 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2RAB9ATSHRNPC1
SCHEMBL29358393 0.88 TSHR (0.53) L3MBTL1SMN1; SMN2RAB9ATSHRNPC1
SCHEMBL21394637 0.88 TSHR (0.53) L3MBTL1SMN1; SMN2RAB9ATSHRNPC1
SCHEMBL29355468 0.88 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ATSHRNPC1
SCHEMBL21394578 0.88 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ATSHRNPC1
SCHEMBL21394626 0.88 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ATSHRNPC1

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