SCHEMBL12217062

SCHEMBL12217062

CCCCC(CC)CN1C(=O)C(C#N)=C(C(F)(F)F)/C(=C/C=C2/N(C)c3ccccc3C2(C)C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 16/20 0.44
▸ KMT2A Q03164 16/20 0.44
▸ MAPT P10636 16/20 0.44
▸ HTT P42858 7/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ GPR55 Q9Y2T6 2/20 0.44
▸ GLA P06280 2/20 0.44
▸ USP2 O75604 5/20 0.41
▸ LMNA P02545 6/20 0.40
▸ POLB P06746 5/20 0.40
▸ MAPK1 P28482 6/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CRHBP P24387 2/20 0.38
▸ CRHR2 Q13324 2/20 0.38
▸ KEAP1 Q14145 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
SCHEMBL12217074 0.89 MEN1 (0.54) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL11954360 0.83 KMT2A (0.46) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL22605269 0.82 PRMT5 (0.32) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL12240371 0.82 MEN1 (0.46) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL12217059 0.81 MAPT (0.53) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL12217061 0.81 MAPT (0.53) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL12721877 0.81 USP2 (0.31) ALDH1A1USP2
SCHEMBL22605075 0.81 PRMT1 (0.36) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL12217058 0.77 MAPT (0.57) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL12217057 0.77 MAPT (0.57) MEN1KMT2AMAPTHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110256422-A1 MEROCYANINES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2011-10-20 — — US disclosed
US-20110256422-A1 MEROCYANINES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2011-10-20 — — US disclosed
WO-2010049512-A1 MEROCYANINES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2010-05-06 — — WO disclosed
Send feedback