SCHEMBL30114944

SCHEMBL30114944

F[B]F.O=C(CC(=O)c1cccc(F)c1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.65
▸ MEN1 O00255 6/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ NPC1 O15118 5/20 0.65
▸ KDM4E B2RXH2 4/20 0.65
▸ MAPT P10636 4/20 0.65
▸ HTT P42858 3/20 0.65
▸ LMNA P02545 2/20 0.65
▸ TSHR P16473 2/20 0.65
▸ ALOX12 P18054 1/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ CES1 P23141 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ RAB9A P51151 4/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55

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
SCHEMBL28972820 1.00 HPGD (0.65) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL29668521 0.95 HPGD (0.71) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL28346776 0.95 HPGD (0.71) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL28972819 0.90 HPGD (0.65) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL29987428 0.89 MEN1 (0.72) HPGDMEN1KMT2ANPC1KDM4E
Dibenzoylmethane SCHEMBL1930339 0.85 KMT2A (0.81) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL4944399 0.84 MEN1 (0.61) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL28972880 0.84 MEN1 (0.65) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL30114977 0.81 MEN1 (0.61) HPGDMEN1KMT2ANPC1KDM4E
SCHEMBL28972845 0.81 MEN1 (0.61) HPGDMEN1KMT2ANPC1KDM4E

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
CN-115677739-A Preparation method of O, O-boron difluoride complex 华南理工大学 2023-02-03 — — CN disclosed
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