SCHEMBL30965987

SCHEMBL30965987

O=c1c2c([nH]c3ccccc13)-c1ccc(Br)cc1OC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA4 P22748 2/20 0.51
CA6 P23280 2/20 0.51
CCNB2 O95067 9/20 0.48
CDK1 P06493 9/20 0.48
CCNB1 P14635 9/20 0.48
CCNB3 Q8WWL7 9/20 0.48
GSK3B P49841 9/20 0.48
CDK5 Q00535 6/20 0.48
CDK5R1 Q15078 6/20 0.48
LMNA P02545 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
BLM P54132 2/20 0.44

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
SCHEMBL30965999 0.90 CCNB2 (0.51) CA1CA2CA4CA6CCNB2
SCHEMBL30966006 0.85 CA1 (0.51) CA1CA2CA4CA6CCNB2
SCHEMBL30965995 0.85 CA1 (0.51) CA1CA2CA4CA6CCNB2
SCHEMBL30966003 0.84 KMT2A (0.60) CA1CA2CA4CA6CCNB2
SCHEMBL30965998 0.81 L3MBTL1 (0.44) CA1CA2CA4CA6LMNA
SCHEMBL1986156 0.77 CDK1 (0.60) CA1CA2CA4CA6CCNB2
SCHEMBL30965996 0.77 MEN1 (0.37) CA1CA2CA4CA6CCNB2
SCHEMBL30966012 0.77 KDM4E (0.50) CA1CA2CA4CA6CCNB2
SCHEMBL30965989 0.76 CA1 (0.64) CA1CA2CA4CA6CCNB2
SCHEMBL30966014 0.74 CA1 (0.57) CA1CA2CA4CA6CCNB2

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