SCHEMBL21394832

SCHEMBL21394832

Cn1nc(C(=O)Nc2ccc(Cc3ccc(F)c(Cl)c3)cn2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
NTRK1 P04629 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPK1 P28482 1/20 0.39
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 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
SCHEMBL29356645 1.00 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21394578 0.92 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL29355468 0.92 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21395128 0.90 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21394598 0.88 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21395192 0.88 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21395145 0.88 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21394634 0.88 TSHR (0.43) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL21394626 0.87 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL29357041 0.87 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2RAB9ANPC1TSHR

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