SCHEMBL22981809

SCHEMBL22981809

Nc1ccc2[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.52
KMT2A Q03164 9/20 0.52
ALDH1A1 P00352 9/20 0.52
MAPT P10636 8/20 0.52
KDM4E B2RXH2 8/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
GAA P10253 7/20 0.52
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
HPGD P15428 7/20 0.52
POLB P06746 6/20 0.52
TP53 P04637 5/20 0.52
USP2 O75604 3/20 0.52
THRB P10828 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CACNA1B Q00975 2/20 0.52
APBA1 Q02410 2/20 0.52
LMNA P02545 2/20 0.52
CHEK2 O96017 4/20 0.50
HSD17B10 Q99714 5/20 0.49

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
SCHEMBL29848557 1.00 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3205888 0.84 ALDH1A1 (0.63) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL31289468 0.80 ALDH1A1 (0.59) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL986751 0.80 NOTUM (0.45) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL29848847 0.80 NPBWR1 (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6483416 0.80 ALDH1A1 (0.79) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL31289472 0.80 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL30533210 0.79 MEN1 (0.73) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL1655753 0.79 MEN1 (0.73) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2246334 0.78 ALDH1A1 (0.77) MEN1KMT2AALDH1A1MAPTKDM4E

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
WO-2021029665-A1 NOVEL IMIDAZOLE DERIVATIVE EXPRESSING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF 한양대학교 에리카산학협력단 2021-02-18 WO disclosed
WO-2021029665-A1 NOVEL IMIDAZOLE DERIVATIVE EXPRESSING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF 한양대학교 에리카산학협력단 2021-02-18 WO disclosed