SCHEMBL26035100

SCHEMBL26035100

NCCCNc1nc2nonc2nc1Nc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
CCR2 P41597 1/20 0.43
CCR5 P51681 1/20 0.43
STK17A Q9UEE5 8/20 0.43
SYK P43405 2/20 0.43
STK17B O94768 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK1 P06493 1/20 0.41
PRKCA P17252 1/20 0.41
CSNK2A1 P68400 2/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
CAMK2D Q13557 1/20 0.41
KDR P35968 1/20 0.41
BRAF P15056 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
SCHEMBL26035098 0.93 MAPT (0.51) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035373 0.88 TP53 (0.49) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035418 0.85 TP53 (0.51) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL3056423 0.84 TP53 (0.63) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035520 0.82 MAPT (0.48) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035082 0.82 MAPT (0.48) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035496 0.81 MAPT (0.57) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035474 0.81 EGFR (0.54) TP53MAPTSMN1; SMN2POLBCCR2
Hydrochloric Acid SCHEMBL6414132 0.80 MAPT (0.55) TP53MAPTSMN1; SMN2POLBCCR2
SCHEMBL26035478 0.80 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