SCHEMBL20344153

SCHEMBL20344153

CCC(C)(C)c1nc2nc(C)cc(C)n2n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
ALDH1A1 P00352 5/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 5/20 0.53
CYP1A2 P05177 1/20 0.53
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL18789864 0.87 RECQL (0.56) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL15043749 0.83 RECQL (0.58) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL15807121 0.74 RECQL (0.76) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL12776201 0.73 RECQL (0.69) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL13325681 0.73 RECQL (0.68) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL12844631 0.71 RECQL (0.83) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL16199688 0.70 RECQL (0.59) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL1464710 0.69 RECQL (0.73) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL4477888 0.69 RECQL (0.73) RECQLALDH1A1HTTKDM4ECYP1A2
SCHEMBL259219 0.69 RECQL (0.73) RECQLALDH1A1HTTKDM4ECYP1A2

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
EP-3145930-B1 FUSED TRIAZOLE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS Celon Pharma Sa (PL) 2018-07-04 EP disclosed