SCHEMBL16689282

SCHEMBL16689282

COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(-c7ccc(N(c8ccccc8)c8ccc(C)cc8)cc7)cc6)c(C)c5)cc4C)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
ALKBH3 Q96Q83 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
FLT3 P36888 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL16690512 0.96 ABL1 (0.41) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL12315146 0.96 ABL1 (0.41) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL10025041 0.94 ACHE (0.46) KMT2ANPC1RAB9AMEN1ACHE
SCHEMBL1375531 0.94 ABL1 (0.42) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL12533910 0.93 ABL1 (0.40) KMT2ANPC1RAB9AMEN1LMNA
SCHEMBL12463495 0.92 KMT2A (0.40) KMT2ANPC1RAB9AMEN1ACHE
SCHEMBL10057771 0.90 DYRK1A (0.44) NPC1RAB9AACHELMNAALDH1A1
SCHEMBL15041103 0.90 ALDH1A1 (0.37) KMT2ANPC1RAB9AMEN1ACHE
SCHEMBL13136846 0.89 CYP2C19 (0.37) KMT2ANPC1RAB9AMEN1ACHE
SCHEMBL13152349 0.88 MEN1 (0.40) KMT2ANPC1RAB9AMEN1ACHE

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-20150124268-A1 DETECTOR FOR OPTICALLY DETECTING AT LEAST ONE OBJECT BASF SE (DE) 2015-05-07 US disclosed