SCHEMBL439466

SCHEMBL439466

Cc1cc(C)c2c(N)cc(C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
MITF O75030 1/20 0.44
HTT P42858 1/20 0.44
RAD52 P43351 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
NUDT1 P36639 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
NR4A2 P43354 1/20 0.41
IDO1 P14902 1/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL30592750 0.83 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL8686911 0.76 LMNA (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL8685809 0.76 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL10250830 0.74 NCF1 (0.56) NCF1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL28042011 0.71 KDM4E (0.53) NCF1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL439576 0.69 NR4A2 (0.54) NCF1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL437139 0.69 NCF1 (0.42) NCF1ALDH1A1KMT2ANOS3NOS1
SCHEMBL436731 0.68 KDM4E (0.56) NCF1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL7618378 0.67 CRHR1 (0.44) NCF1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL25230625 0.67 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed