SCHEMBL21246623

SCHEMBL21246623

CSc1ncnc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL14362399 0.78 ALDH1A1 (0.40) LMNAALDH1A1TP53HSD17B10TSHR
SCHEMBL862484 0.76
SCHEMBL19073268 0.75 ALDH1A1 (0.38) LMNAALDH1A1TP53HSD17B10
SCHEMBL23264073 0.75 ALDH1A1 (0.38) LMNAALDH1A1TP53HSD17B10TSHR
SCHEMBL25464043 0.75 ALDH1A1 (0.38) LMNAALDH1A1TP53HSD17B10
SCHEMBL23264535 0.75 ALDH1A1 (0.38) LMNAALDH1A1TP53HSD17B10
SCHEMBL23830301 0.75 ALDH1A1 (0.42) LMNAALDH1A1TP53HSD17B10TSHR
SCHEMBL5064766 0.70 TP53 (0.43) LMNAALDH1A1TP53HSD17B10TSHR
SCHEMBL23830337 0.70 ALDH1A1 (0.42) LMNAALDH1A1TP53HSD17B10TSHR
SCHEMBL9602045 0.68 MAPT (0.61) LMNAALDH1A1CYP1A2MEN1HTT

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-3154962-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-08-07 EP disclosed