SCHEMBL30966002

SCHEMBL30966002

O=c1c2c([nH]c3ccccc13)-c1cc(Oc3ccccc3)ccc1CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA4 P22748 7/20 0.49
CA6 P23280 7/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
CASP7 P55210 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 2/20 0.42

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
SCHEMBL30966013 0.90 CA1 (0.49) CA1CA2CA4CA6KDM4E
SCHEMBL30965990 0.89 CA1 (0.44) CA1CA2CA4CA6KDM4E
SCHEMBL30966008 0.80 CA1 (0.44) CA1CA2CA4CA6KDM4E
SCHEMBL30966014 0.80 CA1 (0.57) CA1CA2CA4CA6KDM4E
SCHEMBL30965991 0.80 CA1 (0.64) CA1CA2CA4CA6KDM4E
SCHEMBL30965998 0.76 L3MBTL1 (0.44) CA1CA2CA4CA6KDM4E
SCHEMBL30966004 0.72 VCP (0.44) CA1CA2CA4CA6KDM4E
SCHEMBL30965989 0.72 CA1 (0.64) CA1CA2CA4CA6KDM4E
SCHEMBL30966015 0.72 CA1 (0.64) CA1CA2CA4CA6KDM4E
SCHEMBL29817829 0.68 KDM4E (0.57) KDM4EALDH1A1POLBL3MBTL1LMNA

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