SCHEMBL26035474

SCHEMBL26035474

Clc1cccc(CNc2nc3nonc3nc2Nc2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.54
CDK1 P06493 5/20 0.54
SRC P12931 1/20 0.54
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 3/20 0.51
POLB P06746 1/20 0.51
PRKCA P17252 2/20 0.47
ABL1 P00519 2/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TMIGD3 P0DMS9 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
CCR2 P41597 1/20 0.45
CCR5 P51681 1/20 0.45
APP P05067 1/20 0.44
GRM4 Q14833 1/20 0.44

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
SCHEMBL26035496 0.93 MAPT (0.57) EGFRCDK1SRCMAPTSMN1; SMN2
SCHEMBL26035023 0.89 MAPT (0.69) EGFRCDK1SRCMAPTSMN1; SMN2
SCHEMBL3056423 0.87 TP53 (0.63) EGFRMAPTSMN1; SMN2TP53POLB
SCHEMBL26035520 0.84 MAPT (0.48) EGFRCDK1SRCMAPTSMN1; SMN2
SCHEMBL26035098 0.82 MAPT (0.51) EGFRCDK1MAPTSMN1; SMN2TP53
SCHEMBL26035418 0.82 TP53 (0.51) EGFRCDK1MAPTSMN1; SMN2TP53
SCHEMBL26035083 0.81 TP53 (0.50) EGFRCDK1MAPTSMN1; SMN2TP53
SCHEMBL26035478 0.81 TP53 (0.53) EGFRMAPTSMN1; SMN2TP53POLB
SCHEMBL26035373 0.81 TP53 (0.49) EGFRMAPTSMN1; SMN2TP53POLB
SCHEMBL26035100 0.81 TP53 (0.49) CDK1MAPTSMN1; SMN2TP53POLB

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