SCHEMBL18557486

SCHEMBL18557486

CCC(C)c1ccncc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
RPS6KA3 P51812 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RORC P51449 1/20 0.33
LIMK1 P53667 1/20 0.33
ALOX5 P09917 1/20 0.33
AOC1 P19801 2/20 0.33
AOC3 Q16853 2/20 0.33
ALPL P05186 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL24481241 0.92 TSHR (0.44) TSHRRPS6KA3HTTRAB9AKMT2A
SCHEMBL269127 0.83 RPS6KA3 (0.46) TSHRRPS6KA3LIMK1ALOX5AOC1
SCHEMBL25493980 0.81 TSHR (0.41) TSHRRPS6KA3HTTRAB9AKMT2A
SCHEMBL18672455 0.80 TSHR (0.39) TSHRHTTRAB9AKMT2ANPC1
SCHEMBL19250962 0.80 TSHR (0.39) TSHRHTTRAB9AKMT2ANPC1
SCHEMBL12512791 0.80 TSHR (0.39) TSHRRPS6KA3HTTRAB9AKMT2A
SCHEMBL280624 0.80 TSHR (0.39) TSHRRPS6KA3HTTRAB9AKMT2A
SCHEMBL13848825 0.80 TSHR (0.39) TSHRRPS6KA3HTTRAB9AKMT2A
SCHEMBL23219772 0.78 GAA (0.41) TSHRRPS6KA3HTTRAB9AKMT2A
SCHEMBL25493831 0.78 TSHR (0.38) TSHRHTTRAB9AKMT2ANPC1

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-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed