SCHEMBL21394582

SCHEMBL21394582

Cn1nc(C(=O)Nc2ccc(Cc3cccc(F)c3)nn2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
NTRK1 P04629 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL29358116 1.00 TSHR (0.47) TSHRL3MBTL1ABCC8KCNJ11NTRK1
SCHEMBL29356767 0.89 L3MBTL1 (0.47) TSHRL3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL21394600 0.89 L3MBTL1 (0.47) TSHRL3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL21384455 0.88 ABCC8 (0.46) ABCC8KCNJ11SMN1; SMN2NPC1RAB9A
SCHEMBL29356949 0.88 ABCC8 (0.46) ABCC8KCNJ11SMN1; SMN2NPC1RAB9A
SCHEMBL22479444 0.87 L3MBTL1 (0.46) TSHRL3MBTL1NTRK1MAPTSMN1; SMN2
SCHEMBL29358091 0.85 L3MBTL1 (0.46) TSHRL3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL21394434 0.85 L3MBTL1 (0.46) TSHRL3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL21394446 0.85 ABCC8 (0.39) ABCC8KCNJ11NTRK1SMN1; SMN2NPC1
SCHEMBL29355321 0.85 ABCC8 (0.39) ABCC8KCNJ11NTRK1SMN1; SMN2NPC1

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