SCHEMBL13998697

SCHEMBL13998697

c1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7nccnc7s6)cc5)cc(-c5ccc(-c6nc7nccnc7s6)cc5)c4)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.53
RAB9A P51151 12/20 0.53
NPC1 O15118 11/20 0.53
ALDH1A1 P00352 9/20 0.53
GLA P06280 6/20 0.53
GAA P10253 6/20 0.53
RUNX1 Q01196 4/20 0.53
CBFB Q13951 4/20 0.53
HPGD P15428 7/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HSD17B10 Q99714 4/20 0.47
TSHR P16473 3/20 0.47
CASP7 P55210 1/20 0.47
MAPT P10636 6/20 0.46
LMNA P02545 4/20 0.46
ATM Q13315 3/20 0.46
TP53 P04637 3/20 0.46

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
SCHEMBL13998686 0.93 NPC1 (0.50) KDM4ERAB9ANPC1ALDH1A1GLA
SCHEMBL13998717 0.87 NPC1 (0.46) KDM4ERAB9ANPC1ALDH1A1GLA
SCHEMBL13998684 0.86 KDM4E (0.61) KDM4ERAB9ANPC1ALDH1A1GLA
SCHEMBL13053004 0.83 PDK1 (0.55) KDM4ERAB9ANPC1ALDH1A1GLA
SCHEMBL13998714 0.80 KDM4E (0.58) KDM4ERAB9ANPC1ALDH1A1GLA
SCHEMBL24795860 0.78 NPC1 (0.56) KDM4ERAB9ANPC1ALDH1A1GLA
SCHEMBL14406440 0.77 KDM4E (0.59) KDM4ERAB9ANPC1ALDH1A1GLA
SCHEMBL15489895 0.77 KDM4E (0.56) KDM4ERAB9ANPC1ALDH1A1GLA
SCHEMBL23458472 0.77 KDM4E (0.59) KDM4ERAB9ANPC1ALDH1A1GLA
SCHEMBL24796218 0.76 ADORA3 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080315185-A1 Photodetector FUJIFILM CORPORATION (JP) 2008-12-25 US disclosed
US-20080315185-A1 Photodetector FUJIFILM CORPORATION (JP) 2008-12-25 US disclosed