SCHEMBL29358562

SCHEMBL29358562

CN1N=C(NC(=O)c2ccc(Cc3cccc(Cl)c3)cn2)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
SNCA P37840 1/20 0.40
HIF1A Q16665 1/20 0.39
MAPT P10636 3/20 0.39
BACE1 P56817 2/20 0.37
FSCN1 Q16658 1/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL21384473 1.00 LMNA (0.41) LMNASNCAHIF1AMAPTBACE1
SCHEMBL21384460 0.89 SNCA (0.45) SNCAFSCN1PARP1MMP13
SCHEMBL29353671 0.89 SNCA (0.45) SNCAFSCN1PARP1MMP13
SCHEMBL22479655 0.89 PARP1 (0.40) HIF1ANPC1RAB9AKDM4EABL1
SCHEMBL21384508 0.87 RAB9A (0.40) SNCABACE1NPC1RAB9APARP1
SCHEMBL29359221 0.87 RAB9A (0.40) SNCABACE1NPC1RAB9APARP1
SCHEMBL21395062 0.87 CBLB (0.37) SNCABACE1RAB9APARP1
SCHEMBL29359321 0.85 RAB9A (0.36) LMNAMAPTFSCN1KMT2AMEN1
SCHEMBL21384245 0.85 RAB9A (0.36) LMNAMAPTFSCN1KMT2AMEN1
SCHEMBL21394773 0.82 RAB9A (0.44) LMNAMAPTKMT2AMEN1NPC1

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 5 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