SCHEMBL10690572

SCHEMBL10690572

CN(C)c1ccc(C(c2ccc(N(C)C)cc2Cl)c2ccc(N(C)C)cc2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SLC16A3 O15427 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
SLC2A1 P11166 1/20 0.36
MYC P01106 1/20 0.35
AKR1C2 P52895 2/20 0.35

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
SCHEMBL7778141 0.89 ALDH1A1 (0.45) KMT2AALDH1A1GAAL3MBTL1SLC16A3
SCHEMBL10689753 0.85 ALDH1A1 (0.42) KMT2ALMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL10694450 0.85 ALDH1A1 (0.39) KMT2ALMNAALDH1A1GAAL3MBTL1
SCHEMBL10999527 0.80 ALDH1A1 (0.43) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL10693210 0.80 SLC2A1 (0.59) KMT2ALMNATP53SMN1; SMN2ALDH1A1
SCHEMBL9657128 0.80 KMT2A (0.44) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL10689340 0.80 TP53 (0.42) KMT2ALMNATP53SMN1; SMN2NPSR1
SCHEMBL7780614 0.80 ALDH1A1 (0.40) KMT2AALDH1A1GAAL3MBTL1SLC16A3
SCHEMBL12726665 0.79 ALDH1A1 (0.44) KMT2ALMNAALDH1A1GAAL3MBTL1
SCHEMBL10658650 0.79 ALDH1A1 (0.43) KMT2AATMALDH1A1GAAL3MBTL1

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