SCHEMBL30965994

SCHEMBL30965994

O=c1c2ccccc2[nH]c2c1ccc1ccc(N3CCC(F)(F)C3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
JAK2 O60674 1/20 0.41
KIF11 P52732 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
MAOA P21397 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.36
PBRM1 Q86U86 1/20 0.36
CCNB2 O95067 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
SCHEMBL30966022 0.74 KDM4E (0.40) MGLLKIF11TDP1POLBKDM4E
SCHEMBL30966024 0.74 VCP (0.43) MGLLKIF11TDP1POLBKDM4E
SCHEMBL30966018 0.74 KDM4E (0.40) MGLLKIF11TDP1POLBKDM4E
SCHEMBL30966005 0.72 QPCT (0.38) MGLLKIF11HDAC4MEN1KMT2A
SCHEMBL8580978 0.71 KIF11 (0.72) KIF11TDP1POLBCDK4CCND1
SCHEMBL30965988 0.65 KIF11 (0.46) KIF11TDP1POLBMAOAKDM4E
SCHEMBL543330 0.64 KIF11 (0.59) KIF11TDP1POLBCDK4CCND1
SCHEMBL30966023 0.64 KDM4E (0.40) MGLLTDP1POLBCDK4CCND1
SCHEMBL30966004 0.64 VCP (0.44) KIF11TDP1POLBKDM4EALDH1A1
SCHEMBL30966011 0.64 KDM4E (0.43) KIF11TDP1POLBKDM4EALDH1A1

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