SCHEMBL21352396

SCHEMBL21352396

O=c1cccnn1Cc1ccc(B(O)O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ AKR1B1 P15121 5/20 0.35
▸ TP53 P04637 2/20 0.34
▸ PKLR P30613 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.32

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
SCHEMBL2555213 0.79 TP53 (0.42) PKMMEN1KMT2ATP53IDO1
SCHEMBL21352405 0.79 MEN1 (0.39) PKMMEN1KMT2ATP53LMNA
SCHEMBL1710859 0.77 MEN1 (0.56) PKMMEN1KMT2ATP53PKLR
SCHEMBL21352389 0.77 ENPP2 (0.46) PKMMEN1KMT2AIDO1CYP1A2
SCHEMBL15331970 0.76 POLB (0.43) MEN1KMT2ATP53LMNATSHR
SCHEMBL2556097 0.73 LIPG (0.38) PKMMEN1KMT2APKLRIDO1
Pyrrole SCHEMBL13725855 0.71 MEN1 (0.50) PKMMEN1KMT2ATP53PKLR
SCHEMBL17485375 0.68 LPL (0.47) —
SCHEMBL15332827 0.68 KMT2A (0.42) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL8502514 0.67 IDO1 (0.40) MEN1KMT2ATP53IDO1CYP2C9

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
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