SCHEMBL9912552

SCHEMBL9912552

CCCNc1nc(Cl)c2c(n1)N(C(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPY5R Q15761 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PKM P14618 1/20 0.32
RAD52 P43351 1/20 0.32
PDE10A Q9Y233 1/20 0.31
TACR2 P21452 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL9912503 0.85 KMT2A (0.43) KMT2ALMNAMEN1NR1I2AHR
SCHEMBL9912553 0.82 LMNA (0.41) KMT2ALMNAMEN1CYP1A2CYP2C19
SCHEMBL9912498 0.71 LMNA (0.41) KMT2ALMNAMEN1CYP1A2CYP2C19
SCHEMBL9912581 0.71 GAA (0.42) KMT2AMAPT
SCHEMBL9105291 0.69 KMT2A (0.41) KMT2ALMNAMEN1CYP1A2CYP2C19
SCHEMBL9106464 0.68 KMT2A (0.39) KMT2ALMNAMEN1NR1I2AHR
Hydrochloric Acid SCHEMBL9105736 0.68 KMT2A (0.40) KMT2ALMNAMEN1CYP1A2CYP2C19
SCHEMBL9107690 0.68 LMNA (0.43) KMT2ALMNAMEN1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL9102432 0.67 LMNA (0.42) KMT2ALMNAMEN1CYP1A2CYP2C19
SCHEMBL9912587 0.66 KMT2A (0.38) KMT2ALMNAMEN1CYP1A2CYP2C19

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-2012074999-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. (US) 2012-06-07 WO disclosed