SCHEMBL5488316

SCHEMBL5488316

NC(=O)C(=Cc1ccccc1)OP=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.46
AKR1C3 P42330 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FBP1 P09467 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 2/20 0.35
PLA2G7 Q13093 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC3 O15379 1/20 0.34
TNKS O95271 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
SCHEMBL7672337 0.78 ABCG2 (0.51) MCL1AKR1C3ABCG2AKR1C1MEN1
SCHEMBL10436436 0.76 MCL1 (0.47) MCL1AKR1C3AKR1C1MEN1KMT2A
SCHEMBL7149424 0.75 MCL1 (0.46) MCL1AKR1C3ABCG2AKR1C1MEN1
SCHEMBL7149422 0.75 MCL1 (0.46) MCL1AKR1C3ABCG2AKR1C1MEN1
SCHEMBL5504206 0.74 MEN1 (0.62) MCL1AKR1C3MEN1KMT2AALDH1A1
SCHEMBL5504208 0.74 MEN1 (0.62) MCL1AKR1C3MEN1KMT2AALDH1A1
SCHEMBL20596721 0.74 MCL1 (0.45) MCL1AKR1C3ABCG2AKR1C1MEN1
SCHEMBL10697896 0.70 MCL1 (0.41) MCL1AKR1C3ABCG2AKR1C1MEN1
SCHEMBL1259438 0.70 MCL1 (0.57) MCL1AKR1C3AKR1C1MEN1KMT2A
SCHEMBL1628729 0.70 MCL1 (0.57) MCL1AKR1C3AKR1C1MEN1KMT2A

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-20070010428-A1 Inhibitors of signal transduction and activator of transcription 3 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2007-01-11 US disclosed