SCHEMBL9912503

SCHEMBL9912503

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
GLA P06280 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RCE1 Q9Y256 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9912552 0.85 KMT2A (0.41) KMT2ALMNAMEN1NR1I2AHR
SCHEMBL9105291 0.82 KMT2A (0.41) KMT2ALMNAMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9105736 0.81 KMT2A (0.40) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL9107690 0.81 LMNA (0.43) KMT2ALMNAMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9102432 0.80 LMNA (0.42) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL9912587 0.79 KMT2A (0.38) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL9912498 0.79 LMNA (0.41) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL9108283 0.77 MEN1 (0.40) KMT2ALMNAMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9106602 0.76 MEN1 (0.39) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL9101017 0.74 LMNA (0.35) KMT2ALMNAMEN1ALDH1A1GAA

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