SCHEMBL10413461

SCHEMBL10413461

O=c1cnn(-c2ccc(Cl)cc2Cl)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NR1I2 O75469 1/20 0.50
HCAR1 Q9BXC0 1/20 0.49
PKM P14618 1/20 0.45
TLR8 Q9NR97 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.40
P2RX7 Q99572 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10414300 0.85 KMT2A (0.45) ALOX12LMNANPSR1MEN1KMT2A
SCHEMBL4700341 0.79 ALOX12 (0.48) ALOX12LMNANPSR1MEN1KMT2A
SCHEMBL6701530 0.77 MEN1 (0.45) MEN1KMT2ANR1I2HTTP2RX7
SCHEMBL7909905 0.77 KMT2A (0.58) LMNAMEN1KMT2ANR1I2ALDH1A1
SCHEMBL29833592 0.76 CDK4 (0.53) ALOX12LMNANPSR1HCAR1PKM
SCHEMBL5973251 0.76 CDK4 (0.53) ALOX12LMNANPSR1HCAR1PKM
SCHEMBL10394523 0.76 KMT2A (0.54) MEN1KMT2ANR1I2P2RX7
SCHEMBL7919792 0.75 MEN1 (0.56) MEN1KMT2ANR1I2P2RX7
SCHEMBL10395440 0.74 MEN1 (0.53) MEN1KMT2ANR1I2P2RX7
SCHEMBL13219469 0.74 ALDH1A1 (0.54) ALOX12LMNANPSR1MEN1KMT2A

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
US-4906287-A Herbicidal compounds FMC CORPORATION (US) 1990-03-06 US disclosed