SCHEMBL30965993

SCHEMBL30965993

O=c1c2c([nH]c3ccccc13)-c1ccc(N3CCCC3)cc1CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
CASP7 P55210 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ESR2 Q92731 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40

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
SCHEMBL30965983 0.91 KIF11 (0.52) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30966011 0.86 KDM4E (0.43) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30966018 0.85 KDM4E (0.40) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30966022 0.85 KDM4E (0.40) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30965989 0.80 CA1 (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL30966015 0.80 CA1 (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL30966004 0.77 VCP (0.44) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30966013 0.76 CA1 (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL30966014 0.72 CA1 (0.57) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL30965991 0.72 CA1 (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658638-A1 SMALL MOLECULES FOR THE TREATMENT OF MYCOBACTERIAL DISEASES Council of Scientific and Industrial Research, an Indian Registered Body Incorporated under Regn. of Soc. Act (Act XXI of 1860) (IN) 2025-12-10 EP claimed
WO-2024161423-A1 SMALL MOLECULES FOR THE TREATMENT OF MYCOBACTERIAL DISEASES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-08-08 WO claimed
EP-4658638-A1 SMALL MOLECULES FOR THE TREATMENT OF MYCOBACTERIAL DISEASES Council of Scientific and Industrial Research, an Indian Registered Body Incorporated under Regn. of Soc. Act (Act XXI of 1860) (IN) 2025-12-10 EP disclosed
WO-2024161423-A1 SMALL MOLECULES FOR THE TREATMENT OF MYCOBACTERIAL DISEASES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-08-08 WO disclosed