SCHEMBL30966013

SCHEMBL30966013

O=c1c2c([nH]c3ccccc13)-c1ccc(Oc3ccccc3)cc1CC2

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
LMNA P02545 1/20 0.46
POLB P06746 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
L3MBTL1 Q9Y468 1/20 0.46
MAP3K9 P80192 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
SCHEMBL30966002 0.90 CA1 (0.49) CA1CA2CA4CA6KDM4E
SCHEMBL30966008 0.89 CA1 (0.44) CA1CA2CA4CA6KDM4E
SCHEMBL30965990 0.80 CA1 (0.44) CA1CA2CA4CA6KDM4E
SCHEMBL30966015 0.80 CA1 (0.64) CA1CA2CA4CA6KDM4E
SCHEMBL30965989 0.80 CA1 (0.64) CA1CA2CA4CA6KDM4E
SCHEMBL30965998 0.79 L3MBTL1 (0.44) CA1CA2CA4CA6KDM4E
SCHEMBL30965993 0.76 KIF11 (0.49) CA1CA2CA4CA6KDM4E
SCHEMBL12301264 0.76 CA1 (0.78) CA1CA2CA4CA6KDM4E
SCHEMBL22441019 0.74 CA1 (0.50) CA1CA2CA4CA6LMNA
SCHEMBL1745079 0.72 GRM5 (0.53) MAPTCASP7HSD17B10TDP1L3MBTL1

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