SCHEMBL20715310

SCHEMBL20715310

Cc1ccc([N+](=O)[O-])c(NCc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
MAPT P10636 7/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 1/20 0.50
USP2 O75604 1/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 2/20 0.48
SIRT5 Q9NXA8 1/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CRHBP P24387 1/20 0.47

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
SCHEMBL18319382 0.83 MAPT (0.64) EGFRMAPTKDM4EHTTLMNA
SCHEMBL17807848 0.83 EGFR (0.52) EGFRMAPTKDM4ESMN1; SMN2HTT
SCHEMBL7853508 0.83 MAPT (0.58) EGFRMAPTKDM4ESMN1; SMN2HTT
SCHEMBL28946156 0.81 MAPT (0.50) EGFRMAPTKDM4ESMN1; SMN2HTT
SCHEMBL28946188 0.81 EGFR (0.48) EGFRMAPTKDM4ESMN1; SMN2HTT
SCHEMBL13964060 0.80 PGK1 (0.50) MAPTLMNAALDH1A1MAPK1CYP3A4
SCHEMBL13407309 0.78 MAPT (0.59) EGFRMAPTKDM4ESMN1; SMN2HTT
SCHEMBL10810171 0.78 GSK3B (0.58) MAPTSMN1; SMN2HTTLMNAMEN1
SCHEMBL17807850 0.77 CYP1A2 (0.53) EGFRMAPTKDM4ESMN1; SMN2HTT
SCHEMBL7099122 0.77 EGFR (0.55) EGFRMAPTKDM4ESMN1; SMN2HTT

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-2019028308-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-02-07 WO disclosed