SCHEMBL20068422

SCHEMBL20068422

Brc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.53
ACP1 P24666 2/20 0.48
TP53 P04637 1/20 0.47
GBA1 P04062 4/20 0.46
ABCB1 P08183 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13877271 0.87 ACP1 (0.59) ABCG2ACP1TSHRMAPK1HSD17B10
SCHEMBL17904240 0.87 ABCG2 (0.48) ABCG2ACP1TP53GBA1CYP1A1
SCHEMBL17904244 0.87 ABCG2 (0.48) ABCG2ACP1TP53GBA1CYP1A1
SCHEMBL15371685 0.85 ABCG2 (0.50) ABCG2ACP1TSHRMAPK1HSD17B10
SCHEMBL16905625 0.84 ACP1 (0.48) ABCG2ACP1CYP1A1CYP1A2CYP1B1
SCHEMBL15213846 0.84 ACP1 (0.50) ABCG2ACP1TP53GBA1CYP1A2
SCHEMBL17904242 0.84 ABCG2 (0.54) ABCG2ACP1TP53GBA1ABCB1
SCHEMBL29767478 0.83 ABCG2 (0.43) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL8819149 0.83 ABCG2 (0.43) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL13877449 0.83 ACP1 (0.51) ABCG2ACP1TP53GBA1CYP1A2

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-2018070824-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-04-19 WO disclosed