SCHEMBL30236802

SCHEMBL30236802

COC(=O)c1cc(C(C)=O)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
KDM6B O15054 2/20 0.50
KDM5C P41229 2/20 0.50
KDM4C Q9H3R0 2/20 0.50
KDM2A Q9Y2K7 2/20 0.50
KDM3A Q9Y4C1 2/20 0.50
ALDH1A1 P00352 3/20 0.49
AR P10275 1/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
TET3 O43151 1/20 0.47
KDM4A O75164 1/20 0.47
BBOX1 O75936 1/20 0.47
KDM5A P29375 1/20 0.47
ASPH Q12797 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
TET2 Q6N021 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
KDM7A Q6ZMT4 1/20 0.47
KDM8 Q8N371 1/20 0.47

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
SCHEMBL4939178 1.00 KDM4E (0.50) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL70350 0.89 KDM4E (0.62) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30065796 0.89 KDM4E (0.62) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1759313 0.86 KDM4E (0.58) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL2716237 0.86 KDM4E (0.68) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30378954 0.86 KDM4E (0.58) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30745026 0.86 KDM4E (0.68) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29272221 0.85 KDM4E (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30236724 0.85 KDM4E (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL24572936 0.84 MAP4K4 (0.49) ALDH1A1RAB9AMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399210-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES Black Diamond Therapeutics, Inc. (US) 2024-07-17 EP disclosed
WO-2023039505-A1 6-AZA-QUINOLINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2023-03-16 WO disclosed