SCHEMBL21394864

SCHEMBL21394864

CN1N=C(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CCC1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
MAPT P10636 6/20 0.59
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
ABL1 P00519 4/20 0.59
CYP1A2 P05177 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 2/20 0.59
HTT P42858 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RECQL P46063 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.55
SCD O00767 1/20 0.52
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL21394524 0.89 MAPT (0.62) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL21394882 0.89 SCD (0.52) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL29353798 0.89 SCD (0.52) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL21395177 0.89 MEN1 (0.56) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL21394669 0.88 RAB9A (0.56) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL21394799 0.88 LMNA (0.45) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL29357013 0.88 LMNA (0.45) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL21394885 0.87 SCD (0.56) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL21395165 0.86 ABL1 (0.61) LMNAMAPTKMT2AMEN1ABL1
SCHEMBL21394871 0.86 RIPK1 (0.49) LMNAMAPTKMT2AMEN1RAB9A

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 8 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
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP 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