SCHEMBL18622281

SCHEMBL18622281

CC(C)c1nc2n(c1C(C)(C)C)CCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
BCHE P06276 1/20 0.31
CFTR P13569 1/20 0.31
ALOX15 P16050 1/20 0.31
ACHE P22303 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GOPC Q9HD26 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL25632367 0.95 MEN1 (0.36) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL24656125 0.80 MEN1 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1TP53
SCHEMBL22166764 0.77 KDM4E (0.41) KDM4ESMN1; SMN2MEN1KMT2AUSP2
SCHEMBL14752201 0.77 KDM4E (0.37) KDM4ESMN1; SMN2MEN1KMT2AUSP2
SCHEMBL23546705 0.72 KDM4E (0.38) KDM4ESMN1; SMN2USP2ALDH1A1CYP1A2
SCHEMBL13328166 0.71 TP53 (0.39) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23890951 0.71 POLB (0.43) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12996126 0.71 POLB (0.39) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL24415145 0.70 POLB (0.42) SMN1; SMN2MEN1KMT2AALDH1A1ALOX15
SCHEMBL22330359 0.68 MEN1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1POLB

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-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed