SCHEMBL21394984

SCHEMBL21394984

CN1N=C(C(=O)Nc2ncc(Cc3cc(F)cc(Cl)c3)s2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
SCD O00767 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 4/20 0.42
ABL1 P00519 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL21394797 0.93 SCD (0.49) LMNASCDKMT2ARAB9AMEN1
SCHEMBL21394799 0.87 LMNA (0.45) LMNASCDKMT2ARAB9AMEN1
SCHEMBL29357013 0.87 LMNA (0.45) LMNASCDKMT2ARAB9AMEN1
SCHEMBL21394882 0.86 SCD (0.52) LMNASCDKMT2ARAB9AMEN1
SCHEMBL29353798 0.86 SCD (0.52) LMNASCDKMT2ARAB9AMEN1
SCHEMBL21394864 0.86 LMNA (0.62) LMNASCDKMT2ARAB9AMEN1
SCHEMBL21395007 0.86 RAB9A (0.59) LMNAKMT2ARAB9AMEN1NPC1
SCHEMBL21395177 0.86 MEN1 (0.56) LMNAKMT2ARAB9AMEN1NPC1
SCHEMBL21394530 0.85 SCD (0.51) LMNASCDKMT2ARAB9AMEN1
SCHEMBL21394805 0.83 ABL1 (0.44) LMNASCDKMT2ARAB9AMEN1

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