SCHEMBL30499690

SCHEMBL30499690

O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(I)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
PPIA P62937 2/20 0.43
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
RAB9A P51151 2/20 0.41
PYGL P06737 1/20 0.41
HTT P42858 1/20 0.41
PTGFR P43088 1/20 0.41
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7603582 1.00 KMT2A (0.53) KMT2AMEN1LMNAGAAPKM
SCHEMBL8658188 0.88 MEN1 (0.56) KMT2AMEN1LMNAGAAPKM
SCHEMBL30499671 0.86 GAA (0.60) KMT2AMEN1LMNAGAAPKM
SCHEMBL7602852 0.86 GAA (0.60) KMT2AMEN1LMNAGAAPKM
SCHEMBL9348863 0.82 KMT2A (0.59) KMT2AMEN1LMNAMAPTPPIA
SCHEMBL13235108 0.81 KMT2A (0.50) KMT2AMEN1LMNAGAAPKM
SCHEMBL7600018 0.79 NPC1 (0.54) KMT2AMEN1LMNAGAAPKM
SCHEMBL30499681 0.79 NPC1 (0.54) KMT2AMEN1LMNAGAAPKM
SCHEMBL9352497 0.78 KMT2A (0.55) KMT2AMEN1LMNAGAAPKM
SCHEMBL5316465 0.78 KMT2A (0.55) KMT2AMEN1LMNAGAAPKM

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-111988996-B Improving yield of nut bearing plants UPL有限责任公司 2023-07-14 CN disclosed