SCHEMBL19006736

SCHEMBL19006736

CCCCCc1c(C)nc2n1CCCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
HSD11B2 P80365 1/20 0.41
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.34
NPY5R Q15761 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
CCR5 P51681 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13348007 0.82 LMNA (0.40) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4089055 0.76 MAPK1 (0.39) HSD11B1HSD11B2POLBALDH1A1HPGD
SCHEMBL27392383 0.75 POLB (0.38) POLBSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL9910963 0.75 DRD2 (0.48) HSD11B1HSD11B2HRH3MEN1KMT2A
SCHEMBL10384628 0.74 HSD11B1 (0.37) HSD11B1HSD11B2POLBMEN1KMT2A
SCHEMBL21466519 0.72 KDM4E (0.42) HSD11B1HSD11B2POLBALDH1A1KDM4E
SCHEMBL19006734 0.71 POLB (0.52) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10239182 0.71 POLB (0.52) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14353851 0.70 HSD11B1 (0.50) HSD11B1HSD11B2POLBMAPTTP53
SCHEMBL8338559 0.70 DRD2 (0.49) POLBHRH3MEN1KMT2ASMN1; SMN2

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-20170179403-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed