SCHEMBL17467834

SCHEMBL17467834

Cn1cc(-c2ccc3c(ccn3CC3CCN(S(=O)(=O)CCc4ccccc4)CC3)c2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.38
FAAH O00519 1/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34

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
SCHEMBL17458510 0.84 POLB (0.39) POLBLMNAFAAHACHESMN1; SMN2
SCHEMBL17458573 0.82 ROCK2 (0.39) POLBLMNAFAAHACHE
SCHEMBL17458525 0.81 POLB (0.44) POLBLMNAFAAHACHE
SCHEMBL17458515 0.79 POLB (0.37) POLBLMNAFAAHACHETP53
SCHEMBL17458562 0.79 POLB (0.44) POLBLMNAFAAHACHESMN1; SMN2
SCHEMBL17458539 0.77 FAAH (0.42) POLBLMNAFAAHACHESMN1; SMN2
SCHEMBL17458521 0.77 POLB (0.38) POLBLMNAFAAH
SCHEMBL17458586 0.76 RXRA (0.39) POLBLMNAFAAHACHESMN1; SMN2
SCHEMBL19472478 0.75 FAAH (0.42) POLBLMNAFAAHALDH1A1SMN1; SMN2
SCHEMBL19472503 0.73 FAAH (0.38) POLBLMNAFAAH

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-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO disclosed