SCHEMBL20405181

SCHEMBL20405181

N=C(N)c1c(-c2ccc(-c3ccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)cc3)cc2)c2ccccc2c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.33
▸ TYMS P04818 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20407067 0.87 — —
SCHEMBL18821316 0.87 KDM4E (0.35) DHFRTYMSKDM4EMEN1LMNA
SCHEMBL20405533 0.86 DHFR (0.30) DHFRTYMS
SCHEMBL18821318 0.85 MEN1 (0.35) DHFRTYMSKDM4EMEN1LMNA
SCHEMBL23655251 0.82 KDM4E (0.38) DHFRTYMSKDM4EMEN1LMNA
SCHEMBL20406978 0.80 KDM4E (0.32) DHFRTYMSKDM4EMEN1LMNA
SCHEMBL15676320 0.79 MAPT (0.42) DHFRTYMSKDM4EMEN1LMNA
SCHEMBL29557713 0.79 MAPT (0.42) DHFRTYMSKDM4EMEN1LMNA
SCHEMBL18819291 0.79 AKT1 (0.35) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20405513 0.79 KDM4E (0.30) KDM4EMEN1LMNAMAPTOPRK1

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
EP-3351536-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2021-07-21 — — EP disclosed
EP-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
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