SCHEMBL11115507

SCHEMBL11115507

CCC(C)Cc1ccc(Nc2ccc(NCI)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ P2RY4 P51582 4/20 0.42
▸ MTOR P42345 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ PRKCA P17252 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL10601278 0.87 TDP1 (0.50) TDP1MEN1KMT2ALMNAMAPK1
SCHEMBL10937951 0.85 MEN1 (0.67) TDP1MEN1KMT2ALMNAMAPK1
SCHEMBL11139628 0.83 MAPT (0.49) TDP1MEN1KMT2ALMNAMAPK1
SCHEMBL10938974 0.83 MAPT (0.44) TDP1MEN1KMT2ALMNAMAPK1
SCHEMBL3975751 0.77 P2RY4 (0.62) TDP1MEN1KMT2ALMNAMAPK1
SCHEMBL13135365 0.74 NPC1 (0.65) TDP1MEN1KMT2ALMNAMAPK1
SCHEMBL10810834 0.73 TDP1 (0.51) TDP1MEN1KMT2ALMNAMAPK1
SCHEMBL9862123 0.73 P2RY4 (0.54) TDP1MEN1KMT2ALMNAMAPK1
SCHEMBL21939350 0.73 MAPT (0.53) TDP1MEN1KMT2ALMNAMAPK1
SCHEMBL10732288 0.72 NPC1 (0.62) TDP1MEN1KMT2ALMNAMAPK1

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-0107492-A2 Helichromic-smectic liquid crystal compositions and display cells MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-05-02 — — EP disclosed
EP-0044666-A2 Helichromic compounds and displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-01-27 — — EP disclosed
Send feedback