SCHEMBL10691903

SCHEMBL10691903

COc1ccc(C(c2ccc(N(C)C)cc2C(=O)O)c2ccc(N(C)C)cc2N(C)C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
TLR9 Q9NR96 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TUBB1 Q9H4B7 1/20 0.40
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL10689571 0.87 MEN1 (0.51) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL10692670 0.86 SLC2A1 (0.50) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL10693210 0.78 SLC2A1 (0.59) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL10689753 0.78 ALDH1A1 (0.42) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL10689340 0.75 TP53 (0.42) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL10775847 0.75 SLC2A1 (0.45) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL10693869 0.75 SLC2A1 (0.45) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL10693917 0.74 KDM4E (0.44) MEN1KMT2ACYP1A2CYP3A4TSHR
SCHEMBL9312599 0.74 MEN1 (0.69) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL10691570 0.72 ALDH1A1 (0.43) MEN1KMT2ATSHRMAPTMAPK1

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-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed