SCHEMBL12721838

SCHEMBL12721838

CC1(C)/C(=C/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C(F)(F)F)N2CCCc3cccc1c32

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.36
▸ KMT2A Q03164 12/20 0.36
▸ MAPT P10636 12/20 0.36
▸ ALDH1A1 P00352 12/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ LMNA P02545 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 5/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ HTT P42858 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ AMY1A P0DUB6 1/20 0.35
▸ THRB P10828 2/20 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
SCHEMBL12721837 0.91 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12721831 0.90 KMT2A (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12721835 0.84 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12217095 0.78 MAPT (0.60) MEN1KMT2AMAPTALDH1A1ABCG2
SCHEMBL12721817 0.78 KMT2A (0.59) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL12721853 0.73 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL13556370 0.72 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1585026 0.71 CES1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12721881 0.69 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL12721459 0.69 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 — — US disclosed
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 — — US disclosed
EP-2489084-B1 COMPOSITIONS FOR THE PRODUCTION OF PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTO DETECTORS BASF SE (DE) 2015-12-23 — — EP disclosed
US-20120267579-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-10-25 — — US disclosed
US-20120267579-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-10-25 — — US disclosed
WO-2011045253-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2011-04-21 — — WO disclosed
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