SCHEMBL15213848

SCHEMBL15213848

c1ccc(-c2nc(-n3c4ccccc4c4ccc5ccccc5c43)c3ccccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.49
ABCG2 Q9UNQ0 3/20 0.47
TSHR P16473 4/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 5/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
GBA1 P04062 2/20 0.41
SIRT1 Q96EB6 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL19359936 0.86 ABCG2 (0.53) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL17071136 0.86 ACP1 (0.44) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL13877271 0.85 ACP1 (0.59) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL19163366 0.85 TSHR (0.40) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL17071092 0.85 ACP1 (0.45) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL21716402 0.84 ABCG2 (0.40) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL19162476 0.84 TSHR (0.41) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL19161465 0.84 TSHR (0.41) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL19162452 0.84 TSHR (0.39) ACP1ABCG2TSHRMAPK1HSD17B10
SCHEMBL21134408 0.83 TSHR (0.40) ACP1ABCG2TSHRMAPK1HSD17B10

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
WO-2013122364-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE THEREWITH 덕산하이메탈(주) (KR) 2013-08-22 WO disclosed