SCHEMBL9509879

SCHEMBL9509879

C=CCNCC=C.O=[N+]([O-])c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.52
▸ MEN1 O00255 8/20 0.52
▸ RAB9A P51151 8/20 0.52
▸ KMT2A Q03164 8/20 0.52
▸ ALDH1A1 P00352 7/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MAPK1 P28482 4/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ NPC1 O15118 7/20 0.47
▸ TNNI3 P19429 1/20 0.47
▸ TNNT2 P45379 1/20 0.47
▸ TNNC1 P63316 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ POLB P06746 3/20 0.44
▸ HSP90AA1 P07900 2/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL270426 0.82 MEN1 (0.66) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL270425 0.82 MEN1 (0.66) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL29588234 0.82 MEN1 (0.66) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL3261324 0.82 MEN1 (0.53) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL3261323 0.82 MEN1 (0.53) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL9787130 0.81 CYP19A1 (0.54) MAPTMEN1RAB9AKMT2AALDH1A1
Hydrochloric Acid SCHEMBL28545676 0.81 MEN1 (0.64) MAPTMEN1RAB9AKMT2AALDH1A1
Methane SCHEMBL5133892 0.81 ALDH1A1 (0.64) MAPTMEN1RAB9AKMT2AALDH1A1
Acrylic Acid SCHEMBL29013835 0.80 ALDH1A1 (0.53) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL887522 0.77 MEN1 (0.60) MAPTMEN1RAB9AKMT2AALDH1A1

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
EP-0350112-B1 POLYURETHANES PREPARED FROM NON-LINEAR OPTICAL ACTIVE DIOLS Akzo Nobel N.V. (NL) 1993-10-06 — — EP disclosed
US-5001209-A Non-linear optical active diols and polyurethanes prepared therefrom AKZO N.V. (NL) 1991-03-19 — — US disclosed
EP-0350112-A1 Polyurethanes prepared from non-linear optical active diols Akzo Nobel N.V. (NL) 1990-01-10 — — EP disclosed
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