SCHEMBL26035448

SCHEMBL26035448

Clc1cccc(Nc2nc3nonc3nc2NC2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TP53 P04637 3/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 1/20 0.52
PAK4 O96013 2/20 0.47
CCR2 P41597 1/20 0.46
CCR5 P51681 1/20 0.46
CTSV O60911 1/20 0.45
PLAT P00750 1/20 0.45
CTSL P07711 1/20 0.45
CTSH P09668 1/20 0.45
CTSS P25774 1/20 0.45
CASP14 P31944 1/20 0.45
CTSK P43235 1/20 0.45
CASP6 P55212 1/20 0.45
CTSZ Q9UBR2 1/20 0.45
CDK1 P06493 4/20 0.42
PRKCA P17252 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
SCHEMBL26035084 0.95 CTSV (0.51) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL26035395 0.95 TP53 (0.50) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL3056423 0.88 TP53 (0.63) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL26035411 0.87 TP53 (0.50) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL26035379 0.81 PRKCQ (0.49) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL26035485 0.81 TP53 (0.56) MEN1KMT2ATP53MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6414132 0.80 MAPT (0.55) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL26035092 0.80 MAPT (0.47) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL26035402 0.80 MAPT (0.47) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL26035094 0.79 MAPT (0.53) MEN1KMT2ATP53MAPTSMN1; SMN2

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