SCHEMBL26034748

SCHEMBL26034748

Cc1ccc(Nc2nc3nonc3nc2Nc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
RECQL P46063 1/20 0.68
TP53 P04637 8/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 2/20 0.60
KMT2A Q03164 2/20 0.60
RAB9A P51151 1/20 0.60
HPGD P15428 1/20 0.55
NPY5R Q15761 1/20 0.51
MAPT P10636 8/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
POLB P06746 1/20 0.49
CCR2 P41597 1/20 0.48
CCR5 P51681 1/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48

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
SCHEMBL3063324 0.93 GAA (0.76) GAARECQLTP53LMNAMEN1
SCHEMBL3051333 0.89 MAPT (0.54) GAARECQLTP53LMNAMEN1
SCHEMBL15614698 0.88 GAA (0.61) GAARECQLTP53LMNAMEN1
SCHEMBL17249531 0.85 GAA (0.66) GAARECQLTP53LMNAMEN1
SCHEMBL17249530 0.85 GAA (0.66) GAARECQLTP53LMNAMEN1
SCHEMBL16941540 0.85 GAA (0.53) GAARECQLTP53LMNAMEN1
SCHEMBL30754768 0.84 GAA (0.57) GAARECQLTP53LMNAMEN1
SCHEMBL22542867 0.84 GAA (0.57) GAARECQLTP53LMNAMEN1
SCHEMBL21499877 0.82 GAA (0.66) GAARECQLTP53LMNAMEN1
SCHEMBL15614740 0.81 MAPT (0.74) GAARECQLTP53LMNAMEN1

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