SCHEMBL19985994

SCHEMBL19985994

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)c4ccccc4n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.40
ABCG2 Q9UNQ0 4/20 0.39
TSHR P16473 5/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 3/20 0.35
ACHE P22303 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL19985993 0.98 ACP1 (0.41) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL19985995 0.93 ACP1 (0.36) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL22012051 0.89 ACP1 (0.38) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL22011410 0.88 ACP1 (0.39) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL19985956 0.87 MEN1 (0.31) MEN1KMT2AATM
SCHEMBL19046767 0.85 ACP1 (0.46) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL19985997 0.85 HSD17B10 (0.34) TSHRHSD17B10LMNAMEN1KMT2A
SCHEMBL24171568 0.85 ACP1 (0.36) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL19986036 0.84 EGLN1 (0.31) ABCG2HSD17B10LMNATP53KDM4E
SCHEMBL20655792 0.83 PIK3CA (0.37) ACP1

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