SCHEMBL10901356

SCHEMBL10901356

CCOc1cccc(N(C)C2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL10902289 0.84 HPGD (0.46) RAB9AHPGDSMN1; SMN2TP53CYP3A4
SCHEMBL10891521 0.83 MTNR1A (0.44) RAB9ASMN1; SMN2CYP3A4ALDH1A1MEN1
SCHEMBL8459743 0.81 NQO1 (0.47) RAB9AHPGDSMN1; SMN2CYP3A4ALDH1A1
SCHEMBL1241974 0.77 TAS1R3 (0.43) TDP1L3MBTL1
SCHEMBL59241 0.76 APP (0.58) SMN1; SMN2TP53CYP3A4ALDH1A1KDM4E
SCHEMBL10887293 0.74 POLB (0.49) RAB9ASMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL29025888 0.74 MTNR1A (0.47) CYP3A4ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL2859882 0.74 APP (0.57) SMN1; SMN2TP53CYP3A4ALDH1A1KDM4E
SCHEMBL11524158 0.73 TP53 (0.57) SMN1; SMN2TP53CYP3A4ALDH1A1KDM4E
SCHEMBL8663291 0.73 ALDH1A1 (0.53) RAB9ASMN1; SMN2CYP3A4ALDH1A1KDM4E

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-4564679-A AZAPHTHALIDES YAMADA CHEMICAL CO., LTD. (JP) 1986-01-14 US disclosed