SCHEMBL16624800

SCHEMBL16624800

CCCc1ccc(C(OCc2ccc(Cl)nc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NLRP3 Q96P20 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TERT O14746 3/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
ABCB1 P08183 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
BCHE P06276 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
SCHEMBL16624686 0.93 NPC1 (0.44) MEN1KMT2ANLRP3NPC1RAB9A
SCHEMBL16627140 0.89 KIF11 (0.41) MEN1KMT2ANLRP3NPC1RAB9A
SCHEMBL19020519 0.86 TDP1 (0.46) MEN1KMT2AABCG2ABCB1TAAR1
SCHEMBL16627145 0.80 LTA4H (0.41) KMT2ANPC1RAB9ALMNAHTT
SCHEMBL16624847 0.76 CASP3 (0.50) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL19020517 0.76 KIF11 (0.43) BCHE
SCHEMBL20101406 0.76 FFAR1 (0.41) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL19021001 0.75 LTA4H (0.46) KMT2ANPC1RAB9ALMNAHTT
SCHEMBL28241152 0.75 LTA4H (0.52) NPC1RAB9AABCB1TDP1L3MBTL1
SCHEMBL16627149 0.73 GAA (0.48) MEN1KMT2AHTTSMN1; 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-2015051366-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed