SCHEMBL16417992

SCHEMBL16417992

CCc1ccc(OCCCn2cncn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.67
MAPT P10636 4/20 0.67
LMNA P02545 3/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
TP53 P04637 3/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 5/20 0.62
TSHR P16473 1/20 0.54
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL12834842 0.85 MAPT (0.69) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL16359672 0.82 MAPT (0.69) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL16358909 0.82 MAPT (0.69) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL10789133 0.82 SMN1; SMN2 (0.70) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL13303558 0.81 CYP1A2 (0.60) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL763447 0.81 ALDH1A1 (0.64) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL8995270 0.79 MAPT (0.66) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL12835272 0.79 ALDH1A1 (0.62) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL8995256 0.79 MAPT (0.66) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL24041884 0.78 MAPT (0.72) SMN1; SMN2MAPTLMNANPC1RAB9A

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-8940896-B2 Tetra-cyclic carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2015-01-27 US disclosed