SCHEMBL26035485

SCHEMBL26035485

CNc1nc2nonc2nc1Nc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 2/20 0.56
CCR2 P41597 1/20 0.52
CCR5 P51681 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EGFR P00533 3/20 0.46
ERBB2 P04626 1/20 0.46
FADS1 O60427 4/20 0.45
SYK P43405 1/20 0.44
BRAF P15056 1/20 0.42
TNF P01375 1/20 0.42
PDE5A O76074 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
GRM4 Q14833 1/20 0.42

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
SCHEMBL3056423 0.93 TP53 (0.63) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035439 0.85 TP53 (0.56) TP53MAPTSMN1; SMN2POLBCCR2
Hydrochloric Acid SCHEMBL6414132 0.84 MAPT (0.55) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26034844 0.83 TP53 (0.53) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035094 0.83 MAPT (0.53) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035418 0.83 TP53 (0.51) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035083 0.82 TP53 (0.50) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035448 0.81 MEN1 (0.53) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035087 0.81 MAPT (0.84) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL3059036 0.81 TP53 (0.53) TP53MAPTSMN1; SMN2POLBCCR2

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-2023159248-A1 RE-SENSITIZING MULTIDRUG-RESISTANT (MDR) GRAM-NEGATIVE BACTERIA TO COLISTIN USING IONOPHORES THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2023-08-24 WO disclosed