SCHEMBL30965982

SCHEMBL30965982

O=c1c2c([nH]c3ccccc13)-c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1OC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ABL1 P00519 4/20 0.38
WNT3A P56704 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
KCNH2 Q12809 2/20 0.37
SCN1A P35498 1/20 0.37
SCN4A P35499 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MAT2A P31153 1/20 0.37
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL30965986 0.90 KIF11 (0.42) KIF11MEN1KMT2ACA1CA2
SCHEMBL30965998 0.78 L3MBTL1 (0.44) MEN1KMT2ACA1CA2CA4
SCHEMBL30965995 0.78 CA1 (0.51) MEN1KMT2ACA1CA2CA4
SCHEMBL30966006 0.76 CA1 (0.51) PDE5AMEN1KMT2ACA1CA2
SCHEMBL30965987 0.76 CA1 (0.51) ROCK2ROCK1ABL1MARK3MEN1
SCHEMBL30966003 0.75 KMT2A (0.60) MEN1KMT2ACA1CA2CA4
SCHEMBL30966008 0.73 CA1 (0.44) KIF11CA1CA2CA4CA6
SCHEMBL8515371 0.72 MAT2A (0.56) KIF11MAT2AKMT2A
SCHEMBL30966012 0.71 KDM4E (0.50) MEN1KMT2ACA1CA2CA4
SCHEMBL30965990 0.71 CA1 (0.44) KIF11CA1CA2CA4CA6

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