SCHEMBL30589250

SCHEMBL30589250

COc1ccc(Cn2nnc(C(F)(F)F)c2-c2ccnc(CO)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ AKR1C3 P42330 4/20 0.42
▸ AKR1C2 P52895 1/20 0.40
▸ TOP2A P11388 1/20 0.40
▸ MET P08581 2/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ POLB P06746 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
SCHEMBL17891695 1.00 KDM4C (0.43) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL17891713 0.86 MMP13 (0.47) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL30589248 0.86 MMP13 (0.47) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL19383313 0.85 AKR1C3 (0.48) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL17898982 0.85 TOP2A (0.42) AKR1C3TOP2AMETALOX15L3MBTL1
SCHEMBL17891711 0.84 KDM4C (0.42) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL30589236 0.84 KDM4C (0.42) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL17891739 0.84 KDM4C (0.42) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL30589245 0.84 KDM4C (0.42) KDM4CKDM5BAKR1C3AKR1C2TOP2A
SCHEMBL17898986 0.80 CES2 (0.43) AKR1C3TOP2AMETALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436445-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2023-09-06 — — EP disclosed
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