SCHEMBL26035645

SCHEMBL26035645

Clc1cccc(Nc2nc3nonc3nc2NCCN2Cc3ccccc3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 3/20 0.45
POLB P06746 3/20 0.45
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
CCR2 P41597 1/20 0.40
CCR5 P51681 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
EGFR P00533 2/20 0.39
LMNA P02545 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
GAA P10253 1/20 0.37
KDR P35968 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36

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 0.81 MAPT (0.51) MAPTSMN1; SMN2TP53POLBCCR2
SCHEMBL26035418 0.81 TP53 (0.51) MAPTSMN1; SMN2TP53POLBCCR2
SCHEMBL26035520 0.80 MAPT (0.48) MAPTSMN1; SMN2TP53POLBCCR2
SCHEMBL3056423 0.80 TP53 (0.63) MAPTSMN1; SMN2TP53POLBCCR2
SCHEMBL26035373 0.79 TP53 (0.49) MAPTSMN1; SMN2TP53POLBCCR2
SCHEMBL26035100 0.79 TP53 (0.49) MAPTSMN1; SMN2TP53POLBCCR2
SCHEMBL26035082 0.78 MAPT (0.48) MAPTSMN1; SMN2TP53POLBCCR2
SCHEMBL26035379 0.77 PRKCQ (0.49) MAPTSMN1; SMN2TP53POLBCCR2
SCHEMBL26035496 0.76 MAPT (0.57) MAPTSMN1; SMN2TP53POLBCCR2
SCHEMBL26035474 0.76 EGFR (0.54) MAPTSMN1; SMN2TP53POLBCCR2

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