SCHEMBL14816401

SCHEMBL14816401

CCCCCCCCOc1cc(NC(=N)c2c(C(=O)O)c(Br)c3c4ccc5c6c(cc(Br)c(c7ccc(C(=O)Nc8cc(OCCCCCCCC)c(OCCCCCCCC)c(OCCCCCCCC)c8)c2c73)c64)C(=O)NC5=O)cc(OCCCCCCCC)c1OCCCCCCCC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PTPN1 P18031 2/20 0.32
▸ PTPN11 Q06124 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
SCHEMBL14816516 0.86 HTT (0.38) MEN1KMT2A
SCHEMBL6794605 0.82 MEN1 (0.37) MEN1KMT2APTPN1PTPN11
SCHEMBL14816340 0.79 MEN1 (0.36) MEN1KMT2A
SCHEMBL14816403 0.77 PTPN11 (0.41) GAANPSR1PTPN1PTPN11
SCHEMBL16588864 0.75 P2RX7 (0.35) MEN1KMT2A
SCHEMBL6289915 0.75 KMT2A (0.33) MEN1KMT2A
SCHEMBL24380417 0.68 ALDH1A1 (0.39) MEN1KMT2A
SCHEMBL12217046 0.65 TP53 (0.37) PTPN1
SCHEMBL14706337 0.64 THRA (0.35) NPSR1PTPN11
SCHEMBL10710500 0.64 MEN1 (0.48) MEN1KMT2AGAANPSR1

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-2581399-A1 CONJUGATED POLYMER BASED ON PERYLENE TETRACARBOXYLIC ACID DIIMIDE AND BENZODITHIOPHENE AND ITS PREPARATION METHOD AND APPLICATION Ocean's King Lighting Science&Technology Co., Ltd. (CN) 2013-04-17 — — EP disclosed
US-20130085249-A1 CONJUGATED POLYMER BASED ON PERYLENE TETRACARBOXYLIC ACID DIIMIDE AND DIBENZOTHIOPHENE AND THE PREPARATION METHOD AND APPLICATION THEREOF OCEAN'S KING LIGHTING SCIENCE &TECHNOLOGY CO., LTD (CN) 2013-04-04 — — US disclosed
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