SCHEMBL19985995

SCHEMBL19985995

c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)c4ccccc4n3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.36
CYP1A2 P05177 8/20 0.35
CYP3A4 P08684 7/20 0.35
CYP2D6 P10635 7/20 0.35
TSHR P16473 6/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
USP2 O75604 1/20 0.35
ABCG2 Q9UNQ0 5/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 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
SCHEMBL19985994 0.93 ACP1 (0.40) ACP1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL19985993 0.93 ACP1 (0.41) ACP1TSHRMAPK1LMNAUSP2
SCHEMBL19985968 0.87 LIMK1 (0.30)
SCHEMBL19046775 0.86 ACP1 (0.40) ACP1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL19986040 0.86 TP53 (0.31) LMNATP53MEN1KMT2AHSD17B10
SCHEMBL22012051 0.84 ACP1 (0.38) ACP1TSHRMAPK1LMNAUSP2
SCHEMBL20655822 0.84 ADORA2A (0.31)
SCHEMBL22011410 0.83 ACP1 (0.39) ACP1TSHRMAPK1LMNAUSP2
SCHEMBL19985953 0.82 ALDH1A1 (0.37) MAPK1LMNATP53MAPTALDH1A1
SCHEMBL19986050 0.82 EGFR (0.37) LMNATP53ALDH1A1HSD17B10

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed