SCHEMBL11670916

SCHEMBL11670916

CCC(=Cc1sc2ccccc2[n+]1CC)C=C1Sc2ccccc2N1CC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.81
▸ MEN1 O00255 7/20 0.80
▸ KMT2A Q03164 7/20 0.80
▸ MAPT P10636 7/20 0.80
▸ HTT P42858 6/20 0.80
▸ BLM P54132 6/20 0.80
▸ NPC1 O15118 5/20 0.80
▸ RAB9A P51151 5/20 0.80
▸ ALDH1A1 P00352 5/20 0.80
▸ RECQL P46063 5/20 0.80
▸ THRB P10828 4/20 0.80
▸ POLB P06746 3/20 0.80
▸ PKM P14618 3/20 0.80
▸ SMN1; SMN2 Q16637 3/20 0.80
▸ NPSR1 Q6W5P4 3/20 0.80
▸ TDP1 Q9NUW8 3/20 0.80
▸ APAF1 O14727 2/20 0.80
▸ MAPK1 P28482 2/20 0.80
▸ PLA2G1B P04054 1/20 0.80
▸ CDK5 Q00535 1/20 0.80

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
SCHEMBL12311450 1.00 NSD2 (0.81) NSD2MEN1KMT2AMAPTHTT
SCHEMBL10036001 1.00 NSD2 (0.81) NSD2MEN1KMT2AMAPTHTT
Iodide SCHEMBL7697697 0.99 MEN1 (0.81) NSD2MEN1KMT2AMAPTHTT
Bromide SCHEMBL10431222 0.99 NSD2 (0.80) NSD2MEN1KMT2AMAPTHTT
Iodide SCHEMBL7697694 0.99 MEN1 (0.81) NSD2MEN1KMT2AMAPTHTT
SCHEMBL12611407 0.91 NSD2 (0.83) NSD2MEN1KMT2AMAPTHTT
SCHEMBL10035965 0.90 NSD2 (1.00) NSD2MEN1KMT2AMAPTHTT
SCHEMBL29349411 0.90 NSD2 (1.00) NSD2MEN1KMT2AMAPTHTT
SCHEMBL6426499 0.90 NSD2 (1.00) NSD2MEN1KMT2AMAPTHTT
SCHEMBL2409472 0.90 NSD2 (1.00) NSD2MEN1KMT2AMAPTHTT

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
US-4004573-A Process and apparatus for solar energy collection and retrieval BATTELLE DEVELOPMENT CORPORATION (US) 1977-01-25 — — US disclosed
US-4004572-A Solar energy collection and retrieval employing reversible photochemical isomerization BATTELLE DEVELOPMENT CORPORATION (US) 1977-01-25 — — US disclosed
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