SCHEMBL21394434

SCHEMBL21394434

Cn1nc(C(=O)Nc2ccc(Cc3ccc(F)c(Cl)c3)nn2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 5/20 0.40
GLS O94925 1/20 0.40
ENPP2 Q13822 1/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL29358091 1.00 L3MBTL1 (0.46) L3MBTL1TSHRHTTMAPTGLS
SCHEMBL22479444 0.86 L3MBTL1 (0.46) L3MBTL1TSHRHTTMAPTENPP2
SCHEMBL21394600 0.86 L3MBTL1 (0.47) L3MBTL1TSHRHTTMAPTGLS
SCHEMBL29356767 0.86 L3MBTL1 (0.47) L3MBTL1TSHRHTTMAPTGLS
SCHEMBL21394832 0.85 L3MBTL1 (0.47) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL29358116 0.85 TSHR (0.47) L3MBTL1TSHRHTTMAPTGLS
SCHEMBL29356645 0.85 L3MBTL1 (0.47) L3MBTL1TSHRHTTMAPTLMNA
SCHEMBL21394582 0.85 TSHR (0.47) L3MBTL1TSHRHTTMAPTGLS
SCHEMBL22479682 0.80 LMNA (0.59) L3MBTL1HTTMAPTLMNAALDH1A1
SCHEMBL21394441 0.79 RAB9A (0.44) L3MBTL1MAPTGLSENPP2LMNA

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