SCHEMBL29380712

SCHEMBL29380712

CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)ncn3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.44
▸ ASIC3 Q9UHC3 1/20 0.44
▸ KMO O15229 3/20 0.41
▸ PDK2 Q15119 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.38
▸ CYP3A4 P08684 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL17273403 0.93 KMO (0.42) MIFASIC3KMOPDK2TSHR
SCHEMBL17273276 0.93 KMO (0.42) MIFASIC3KMOPDK2TSHR
SCHEMBL17280875 0.93 KMO (0.42) MIFASIC3KMOPDK2TSHR
SCHEMBL17280863 0.92 PDK2 (0.41) MIFASIC3PDK2
SCHEMBL17280872 0.91 PDK2 (0.41) MIFASIC3KMOPDK2KMT2A
SCHEMBL17280862 0.88 KMO (0.50) MIFASIC3KMOPDK2SMN1; SMN2
SCHEMBL20137307 0.88 PDK2 (0.49) KMOPDK2
SCHEMBL29450659 0.88 PDK2 (0.49) KMOPDK2
SCHEMBL29450666 0.87 KMT2A (0.39) MIFASIC3KMOPDK2SMN1; SMN2
SCHEMBL17206411 0.87 ASIC3 (0.36) MIFASIC3KMOPDK2SMN1; SMN2

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-2022031036-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2022-02-10 — — WO disclosed
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