SCHEMBL26035402

SCHEMBL26035402

Clc1cccc(Nc2nc3nonc3nc2NCC2CCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
PRKCQ Q04759 2/20 0.46
KDR P35968 1/20 0.43
SOS1 Q07889 1/20 0.43
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CNR2 P34972 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CCR2 P41597 1/20 0.42
CCR5 P51681 1/20 0.42
KMT2A Q03164 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 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
SCHEMBL26035379 0.95 PRKCQ (0.49) MAPTTP53SMN1; SMN2POLBPRKCQ
SCHEMBL26035092 0.89 MAPT (0.47) MAPTTP53SMN1; SMN2POLBPRKCQ
SCHEMBL26035089 0.86 MAPT (0.47) MAPTTP53SMN1; SMN2POLBPRKCQ
SCHEMBL3056423 0.83 TP53 (0.63) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL26035395 0.82 TP53 (0.50) MAPTTP53SMN1; SMN2POLBPRKCQ
SCHEMBL26035084 0.80 CTSV (0.51) MAPTTP53SMN1; SMN2POLBPRKCQ
SCHEMBL26035448 0.80 MEN1 (0.53) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL26035098 0.79 MAPT (0.51) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL26035474 0.79 EGFR (0.54) MAPTTP53SMN1; SMN2POLBCCR2
SCHEMBL26035496 0.79 MAPT (0.57) MAPTTP53SMN1; 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