SCHEMBL9273628

SCHEMBL9273628

O=C(COc1ccc(-c2ccccc2)cc1)NCc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.82
HPGD P15428 1/20 0.82
ADAMTS5 Q9UNA0 6/20 0.71
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
CYP2C19 P33261 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
CYP2C9 P11712 1/20 0.68
ALDH1A1 P00352 5/20 0.67
HTT P42858 1/20 0.63
POLB P06746 1/20 0.63
LMNA P02545 1/20 0.62
MEN1 O00255 1/20 0.62
KDM4E B2RXH2 1/20 0.61
THRB P10828 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
SGMS1 Q86VZ5 1/20 0.61

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
SCHEMBL9273340 0.98 KMT2A (0.84) KMT2AHPGDADAMTS5NPC1RAB9A
SCHEMBL9263432 0.93 KMT2A (0.75) KMT2AHPGDADAMTS5NPC1RAB9A
SCHEMBL9271168 0.91 KMT2A (0.73) KMT2AHPGDADAMTS5NPC1RAB9A
SCHEMBL9271728 0.91 KMT2A (0.73) KMT2AHPGDADAMTS5NPC1RAB9A
SCHEMBL5272168 0.90 KMT2A (1.00) KMT2AHPGDRAB9ASMN1; SMN2CYP2C19
SCHEMBL9268569 0.90 ADAMTS5 (0.78) KMT2AHPGDADAMTS5NPC1RAB9A
SCHEMBL9272176 0.90 ADAMTS5 (0.78) KMT2AHPGDADAMTS5NPC1RAB9A
SCHEMBL9271748 0.88 KMT2A (0.82) KMT2AHPGDADAMTS5SMN1; SMN2CYP2C19
SCHEMBL9272482 0.87 SRC (0.69) KMT2AHPGDADAMTS5NPC1RAB9A
SCHEMBL9274804 0.87 KMT2A (0.66) KMT2AHPGDADAMTS5NPC1RAB9A

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
WO-1995029155-A1 NOVEL ANTITUMOUR COMPOUNDS WITH ANTIMITOTIC ACTIVITY PHARMACIA AB (SE) 1995-11-02 WO disclosed