SCHEMBL20752000

SCHEMBL20752000

Cc1ccc2c(n1)oc1c(N)c(C)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
HSD17B10 Q99714 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 3/20 0.36
OPRK1 P41145 1/20 0.36
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.33
IKBKB O14920 1/20 0.33
LIMK1 P53667 1/20 0.33
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
SCHEMBL20751969 0.82 MCL1 (0.42) ALDH1A1KMT2AOPRK1NOS1NOS2
SCHEMBL20751940 0.78 LMNA (0.46) ALDH1A1KDM4EGAAHSD17B10LMNA
SCHEMBL15705999 0.77 MCL1 (0.40) ALDH1A1KMT2AOPRK1NOS1NOS2
SCHEMBL20751997 0.77 OPRK1 (0.34) ALDH1A1KMT2AOPRK1NOS1NOS2
SCHEMBL18052703 0.77 OPRK1 (0.34) ALDH1A1KMT2AOPRK1NOS1NOS2
SCHEMBL19267552 0.77 NOS1 (0.45) ALDH1A1KDM4EGAAKMT2AOPRK1
SCHEMBL20752034 0.76 GAA (0.36) GAAKMT2ANOS1NOS2
SCHEMBL16716130 0.75 NPC1 (0.40) ALDH1A1KDM4EGAAHSD17B10LMNA
SCHEMBL24729628 0.74 KMT2A (0.39) ALDH1A1KDM4EGAAHSD17B10LMNA
SCHEMBL20731020 0.74 KMT2A (0.39) ALDH1A1KDM4EGAAHSD17B10LMNA

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-3444260-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-02-20 EP disclosed