SCHEMBL31241065

SCHEMBL31241065

O=C(Nc1ccc(Br)cn1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.79
NPC1 O15118 8/20 0.79
KMT2A Q03164 5/20 0.79
MEN1 O00255 4/20 0.79
RXFP1 Q9HBX9 1/20 0.79
HCAR3 P49019 1/20 0.69
TP53 P04637 1/20 0.64
MAPK1 P28482 1/20 0.64
KDM4E B2RXH2 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
RECQL P46063 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
DEGS1 O15121 1/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL1558817 1.00 RAB9A (0.79) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL24891928 0.89 NPC1 (0.68) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL13171354 0.87 NPC1 (0.72) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL14082267 0.85 NPC1 (0.63) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL2890734 0.84 KDM4E (0.68) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL11254963 0.83 RAB9A (0.72) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL3768771 0.82 NPC1 (0.81) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL29220747 0.82 HCAR3 (0.71) RAB9ANPC1KMT2AMEN1HCAR3
SCHEMBL30182773 0.81 RAB9A (0.62) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL24891679 0.81 RAB9A (0.62) RAB9ANPC1KMT2AMEN1RXFP1

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-118812505-A PI5P4K gamma inhibitor compound, pharmaceutical composition, and preparation method and application thereof 贵州医科大学 2024-10-22 CN disclosed