SCHEMBL15046445

SCHEMBL15046445

CC1(C)c2ccccc2Nc2cc3c(cc21)-c1ccc(-c2ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc7c(cc5-6)N(c5ccccc5)c5ccccc5C7(C)C)cc4)cc2)cc1C3(C)C

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ PDK2 Q15119 1/20 0.30

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
SCHEMBL15046242 0.84 PGR (0.35) PGRALDH1A1PDK2
SCHEMBL15046325 0.84 PGR (0.35) PGRALDH1A1PDK2
SCHEMBL12435116 0.84 PDK2 (0.38) PGRKDM4EALDH1A1HSD17B10PDK2
SCHEMBL15046328 0.84 PGR (0.33) PGRPDK2
SCHEMBL15046417 0.83 PDK2 (0.33) PDK2
SCHEMBL17265841 0.82 PDK2 (0.38) PGRPDK2
SCHEMBL15019833 0.81 PGR (0.36) PGRKDM4EALDH1A1PDK2
SCHEMBL16900616 0.81 PGR (0.40) PGRALDH1A1PDK2
SCHEMBL19042757 0.81 PDK2 (0.39) PGRPDK2
SCHEMBL16900626 0.81 PGR (0.42) PGRALDH1A1PDK2

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-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 — — WO disclosed
Send feedback