SCHEMBL8045387

SCHEMBL8045387

O=C1C(I)CN1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
GRM2 Q14416 3/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FADS1 O60427 1/20 0.39
G6PD P11413 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
SCHEMBL13818358 0.75 MEN1 (0.48) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL225262 0.73 KMT2A (0.47) MEN1KMT2ANPC1RAB9ADDB1
Water SCHEMBL2910884 0.72 KMT2A (0.45) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL6205439 0.71 DDB1 (0.44) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL8790545 0.71 MEN1 (0.48) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL17704774 0.70 NPC1 (0.73) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL30157963 0.69 POLB (0.46) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL18379593 0.69 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL30209937 0.68 TNKS (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL10447256 0.68 ALDH1A1 (0.51) MEN1KMT2ANPC1RAB9ADDB1

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-2000063703-A1 USE OF AZETIDINONE COMPOUNDS SCHERING CORPORATION (US) 2000-10-26 WO disclosed