SCHEMBL19901133

SCHEMBL19901133

Cc1ccc2c(oc3ccccc32)c1N1CN(C)c2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
GAA P10253 3/20 0.35
HRH4 Q9H3N8 2/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 5/20 0.34
TP53 P04637 4/20 0.34
DRD4 P21917 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL19901107 0.91 TSHR (0.37) TSHRGAAHRH4MAPTLMNA
SCHEMBL26253480 0.87 TSHR (0.36) TSHRGAAHRH4MAPTLMNA
SCHEMBL19901136 0.86 TSHR (0.35) TSHRHRH4MAPTLMNATP53
SCHEMBL19901160 0.86 PGR (0.34) TSHRHRH4MAPTLMNATP53
SCHEMBL25562857 0.84 TSHR (0.36) TSHRGAAHRH4MAPTLMNA
SCHEMBL24851548 0.81 TSHR (0.35) TSHRHRH4MAPTLMNATP53
SCHEMBL19901108 0.81 TSHR (0.35) TSHRHRH4MAPTLMNATP53
SCHEMBL25562918 0.81 TSHR (0.35) TSHRHRH4MAPTLMNATP53
SCHEMBL21204226 0.81 HSD17B10 (0.35) TSHRHRH4MAPTLMNATP53
SCHEMBL18828295 0.79 PIK3CA (0.33) KDM4EALDH1A1

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-9905784-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 US disclosed