SCHEMBL8230002

SCHEMBL8230002

C=C(Nc1cccc2c1C(=O)N(Cc1ccc(OC)c(I)c1)C2)c1ccc(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CREBBP Q92793 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.37
TP53 P04637 2/20 0.37
NR1I2 O75469 1/20 0.36
UGCG Q16739 1/20 0.36
MCL1 Q07820 1/20 0.34
CCR4 P51679 1/20 0.34
PARP1 P09874 1/20 0.34
HDAC1 Q13547 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
SCHEMBL3987347 0.92 F10 (0.47) F10MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8225135 0.87 F10 (0.55) F10MEN1KMT2ALMNAALDH1A1
SCHEMBL13069754 0.86 F10 (0.42) F10MAPK1ALDH1A1NR1I2UGCG
SCHEMBL8231433 0.86 F10 (0.48) F10MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8232904 0.83 F10 (0.41) F10MAPT
SCHEMBL8229933 0.82 CCR4 (0.35) F10MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8231182 0.79 F10 (0.43) F10MEN1KMT2AMAPK1ALDH1A1
SCHEMBL3984298 0.79 F10 (0.63) F10MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3382279 0.77 F10 (0.49) F10KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3382382 0.77 F10 (0.55) F10MEN1KMT2ALMNASMN1; SMN2

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-2007137790-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed