SCHEMBL28519763

SCHEMBL28519763

O=Cc1ccc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
RAB9A P51151 3/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAP2K3 P46734 1/20 0.39
ASIC3 Q9UHC3 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL12427720 0.81 ALDH1A1 (0.56) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL4799732 0.75 SQOR (0.49) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL30772447 0.75 SQOR (0.49) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL1315514 0.74 PDE10A (0.56) KMT2AMEN1RAB9APTGS2ALDH1A1
SCHEMBL22589190 0.74 PARP1 (0.48) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL9203841 0.73 PARP1 (0.54) KMT2AMEN1RAB9AALDH1A1LMNA
SCHEMBL12427715 0.73 SQOR (0.46) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL12427717 0.72 NPSR1 (0.40) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL14932028 0.72 SQOR (0.48) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL14931777 0.72 ALDH1A1 (0.58) KMT2AMEN1RAB9AALDH1A1KDM4E

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-107406546-B Process for producing oligomer and catalyst JXTG能源株式会社 2021-02-19 CN disclosed