SCHEMBL3768428

SCHEMBL3768428

O=C(O)c1ccc(-c2cn(CCF)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ EP300 Q09472 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ ALOX5 P09917 2/20 0.47
▸ PTGES2 Q9H7Z7 1/20 0.47
▸ HDAC3 O15379 6/20 0.47
▸ HDAC4 P56524 6/20 0.47
▸ HDAC1 Q13547 6/20 0.47
▸ HDAC7 Q8WUI4 6/20 0.47
▸ HDAC2 Q92769 6/20 0.47
▸ HDAC10 Q969S8 6/20 0.47
▸ HDAC11 Q96DB2 6/20 0.47
▸ HDAC8 Q9BY41 6/20 0.47
▸ HDAC6 Q9UBN7 6/20 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
SCHEMBL27144814 0.81 SRC (0.50) SRCNR1H4EP300MEN1KMT2A
SCHEMBL15589760 0.81 CYP19A1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22276997 0.79 SRC (0.51) SRCNR1H4EP300MEN1KMT2A
SCHEMBL22276761 0.79 SRC (0.58) SRCNR1H4EP300MEN1KMT2A
SCHEMBL22531104 0.79 SRC (0.51) SRCNR1H4MEN1KMT2ACASP3
SCHEMBL15590034 0.78 ALOX5 (0.57) SRCNR1H4ALOX5
SCHEMBL22530280 0.78 SRC (0.53) SRCNR1H4EP300MEN1KMT2A
SCHEMBL22530335 0.78 SRC (0.47) SRCNR1H4EP300MEN1KMT2A
SCHEMBL22276758 0.78 CHEK1 (0.54) SRCNR1H4MEN1KMT2ACASP3
SCHEMBL22530963 0.76 SRC (0.48) SRCNR1H4EP300MEN1KMT2A

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
US-8679455-B2 Radiolabelling methods HAMMERSMITH IMANET LIMITED (GB) 2014-03-25 — — US disclosed
WO-2010007363-A2 PREPARATION OF FLUORINE-LABELLED COMPOUNDS ISIS INNOVATION LIMITED (GB) 2010-01-21 — — WO disclosed
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