SCHEMBL25597890

SCHEMBL25597890

CC(C)(C)c1ccc(Nc2ccc3c(c2)N(c2ccccc2)c2ccccc2C3(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.42
▸ GNG2 P59768 2/20 0.41
▸ GNB1 P62873 2/20 0.41
▸ P2RY1 P47900 1/20 0.37
▸ SERPINE1 P05121 1/20 0.35
▸ MARK3 P27448 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ FSHR P23945 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KIF11 P52732 1/20 0.31

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
SCHEMBL24027645 0.90 PGR (0.47) PGRGNG2GNB1MARK3ALDH1A1
SCHEMBL25810240 0.86 P2RY1 (0.34) PGRGNG2GNB1P2RY1SERPINE1
SCHEMBL29945219 0.82 PGR (0.53) PGRGNG2GNB1MARK3ALDH1A1
SCHEMBL26574678 0.82 PGR (0.53) PGRGNG2GNB1MARK3ALDH1A1
SCHEMBL15046109 0.81 P2RY1 (0.38) PGRP2RY1TRPV1ALDH1A1CYP1A2
SCHEMBL16940893 0.80 ITGB2 (0.39) PGRP2RY1ALDH1A1CYP1A2CYP2D6
SCHEMBL30920029 0.80 HSP90AA1 (0.43) PGRGNG2GNB1MARK3ALDH1A1
SCHEMBL23561450 0.79 PGR (0.41) PGRGNG2GNB1MARK3ALDH1A1
SCHEMBL24176385 0.79 P2RY1 (0.35) PGRP2RY1TRPV1ALDH1A1CYP1A2
SCHEMBL24027646 0.79 GNG2 (0.44) PGRGNG2GNB1MARK3ALDH1A1

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-20230189642-A1 Emitting Compound and Organic Light Emitting Device Including the Same LG DISPLAY CO., LTD. (KR) 2023-06-15 — — US disclosed
US-20230189642-A1 Emitting Compound and Organic Light Emitting Device Including the Same LG DISPLAY CO., LTD. (KR) 2023-06-15 — — US disclosed
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