SCHEMBL9804065

SCHEMBL9804065

Cc1cc(CCCCCCCON(Cc2ccccc2)Cc2ccccc2)on1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.40
BRD4 O60885 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PYCR1 P32322 1/20 0.36
POLB P06746 1/20 0.35
NR1I2 O75469 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
IGF1R P08069 2/20 0.35
FGFR1 P11362 2/20 0.35
KDR P35968 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL20020199 0.79 MEN1 (0.50) KMT2AMEN1MAPK1ALDH1A1BRD4
SCHEMBL11032320 0.79 MEN1 (0.51) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL20507231 0.76 MEN1 (0.50) KMT2AMEN1MAPK1ALDH1A1BRD4
SCHEMBL10777388 0.76 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL20020177 0.75 MEN1 (0.51) KMT2AMEN1MAPK1ALDH1A1BRD4
SCHEMBL9803998 0.73 MEN1 (0.46) KMT2AMEN1ALDH1A1NR1I2CYP3A4
SCHEMBL9804070 0.72 MEN1 (0.51) KMT2AMEN1ALDH1A1
SCHEMBL9804036 0.72 MEN1 (0.47) KMT2AMEN1MAPK1ALDH1A1NPC1
SCHEMBL9804055 0.70 MEN1 (0.42) KMT2AMEN1ALDH1A1BRD4RAB9A
SCHEMBL10770087 0.70 LTA4H (0.44) MAPK1ALDH1A1CYP3A4SIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US claimed
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US disclosed