SCHEMBL20016891

SCHEMBL20016891

c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(-c6ccccc6)c6c(c(-c7ccccc7)c5c4)-c4cccc5c(-c7cccc(N(c8ccccc8)c8ccc(-c9ccccn9)nc8)c7)ccc-6c45)cc3)c3cccc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)c3)cn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ PRMT5 O14744 1/20 0.30
▸ DHODH Q02127 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
SCHEMBL17012236 0.93 TGFBR1 (0.34) CYP11B1TGFBR1HPGDS
SCHEMBL20016795 0.91 CYP2A6 (0.37) CYP11B1TGFBR1BRD4DHODHPDK2
SCHEMBL20016800 0.91 PIK3CA (0.37) TGFBR1BRD4PRMT5PDK2
SCHEMBL16485096 0.91 TGFBR1 (0.35) CYP11B1TGFBR1BRD4DHODHPDK2
SCHEMBL17132477 0.91 TGFBR1 (0.35) CYP11B1TGFBR1BRD4DHODHPDK2
SCHEMBL16484448 0.89 HPGDS (0.36) CYP11B1TGFBR1HPGDSPDK2
SCHEMBL16485074 0.89 CYP11B1 (0.35) CYP11B1
SCHEMBL16484419 0.88 PDK2 (0.36) TGFBR1PRMT5DHODHPDK2
SCHEMBL16485097 0.88 PRKDC (0.35) TGFBR1DHODHPDK2
SCHEMBL20016878 0.86 PIK3CA (0.39) CYP11B1

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
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 — — US disclosed
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