SCHEMBL18005507

SCHEMBL18005507

Cc1cnc(N2CCC2)nc1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 2/20 0.42
GBA1 P04062 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL1708343 0.96 POLB (0.58) POLBSMN1; SMN2MAPTGBA1ALDH1A1
SCHEMBL17066352 0.85 HTR3A (0.54) POLBSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL29732670 0.85 POLB (0.55) POLBSMN1; SMN2MAPTGBA1ALDH1A1
SCHEMBL9486237 0.83 ALDH1A1 (0.54) POLBSMN1; SMN2ALDH1A1MAPK1USP2
SCHEMBL17531186 0.83 KDM4E (0.54) POLBALDH1A1MAPK1USP2CYP1A2
Hydrochloric Acid SCHEMBL8579574 0.82 ALDH1A1 (0.52) POLBSMN1; SMN2ALDH1A1MAPK1USP2
Hydrochloric Acid SCHEMBL10410648 0.82 ALDH1A1 (0.52) POLBSMN1; SMN2ALDH1A1MAPK1USP2
SCHEMBL29732880 0.81 ALDH1A1 (0.51) POLBSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL26975238 0.81 POLB (0.44) POLBSMN1; SMN2GBA1ALDH1A1MAPK1
SCHEMBL14983697 0.80 POLB (0.44) POLBSMN1; SMN2MAPTGBA1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016133959-A9 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-22 WO disclosed
EP-3259254-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents on behalf of Arizona State University (US) 2017-12-27 EP disclosed
WO-2016133959-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-08-25 WO disclosed