SCHEMBL18871110

SCHEMBL18871110

CC1(C)CC(=O)C(=CN=Nc2cccc([N+](=O)[O-])c2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.45
▸ MAPT P10636 6/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39

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
SCHEMBL1405487 0.72 TSHR (0.67) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL1405486 0.72 TSHR (0.67) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL14280247 0.72 KMT2A (0.45) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL13640183 0.72 MAPT (0.51) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL14280239 0.72 KMT2A (0.44) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL18871441 0.72 ALDH1A1 (0.50) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL18870971 0.72 TSHR (0.50) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL1405403 0.68 NPC1 (0.65) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL1405402 0.68 NPC1 (0.65) KMT2AMAPTMEN1ALDH1A1MAPK1
SCHEMBL18871494 0.68 ALDH1A1 (0.36) KMT2AMAPTMEN1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477491-B1 PLANT ADDITIVES AND USES THEREOF TO MODULATE THE SYNTHESIS OF MEMBRANE GLYCEROLIPIDS IN PLANTS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-05-17 — — EP disclosed
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