SCHEMBL21394799

SCHEMBL21394799

CN1N=C(C(=O)Nc2ncc(Cc3cncc(Cl)c3)s2)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.43
RAB9A P51151 5/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 4/20 0.43
ABL1 P00519 3/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCD O00767 2/20 0.41
TP53 P04637 1/20 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
SCHEMBL29357013 1.00 LMNA (0.45) LMNAKMT2AMAPTRAB9AMEN1
SCHEMBL21394864 0.88 LMNA (0.62) LMNAKMT2AMAPTRAB9AMEN1
SCHEMBL21395177 0.87 MEN1 (0.56) LMNAKMT2AMAPTRAB9AMEN1
SCHEMBL21394984 0.87 LMNA (0.44) LMNAKMT2AMAPTRAB9AMEN1
SCHEMBL21394906 0.84 POLB (0.46) LMNAKMT2AMAPTRAB9AMEN1
SCHEMBL21394797 0.83 SCD (0.49) LMNAKMT2AMAPTRAB9AMEN1
SCHEMBL21394669 0.83 RAB9A (0.56) LMNAKMT2AMAPTRAB9AMEN1
SCHEMBL21394530 0.83 SCD (0.51) LMNAKMT2AMAPTRAB9AMEN1
SCHEMBL21395007 0.82 RAB9A (0.59) LMNAKMT2AMAPTRAB9AMEN1
SCHEMBL29353798 0.80 SCD (0.52) LMNAKMT2AMAPTRAB9AMEN1

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