SCHEMBL20787640

SCHEMBL20787640

CNc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3)c(O)c2OC(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.49
▸ RAB9A P51151 7/20 0.49
▸ HTT P42858 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ LMNA P02545 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ NLRP1 Q9C000 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40

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
SCHEMBL20786981 0.91 MITF (0.42) NPC1RAB9AHTTGAAMAPT
SCHEMBL24379800 0.87 MEN1 (0.54) NPC1RAB9AHTTGAAMAPT
SCHEMBL24379797 0.82 EP300 (0.53) NPC1RAB9AHTTGAAMAPT
SCHEMBL17775442 0.81 ALDH1A1 (0.47) NPC1RAB9AHTTGAAMAPT
SCHEMBL20788693 0.79 NPC1 (0.39) NPC1RAB9AHTTGAAMAPT
SCHEMBL20787628 0.78 MEN1 (0.41) NPC1RAB9AHTTGAAMAPT
SCHEMBL20787469 0.77 PLAU (0.40) GAAKMT2AMEN1LMNAMAPK1
SCHEMBL22099920 0.77 POLB (0.40) NPC1RAB9AHTTMAPTSMN1; SMN2
SCHEMBL16371053 0.76 MAPT (0.41) NPC1RAB9AHTTGAAMAPT
SCHEMBL30625925 0.76 LMNA (0.47) NPC1RAB9AHTTGAAMAPT

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
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — WO disclosed
Send feedback