SCHEMBL2229253

SCHEMBL2229253

C=CCNCc1c(NCC=C)nc2ccccn2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 8/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.42
GLA P06280 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 4/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 3/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
ESR1 P03372 1/20 0.41
S1PR1 P21453 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL2228132 0.82 KDM4E (0.56) RAB9ANPC1ALDH1A1KDM4ELMNA
Water SCHEMBL2228975 0.81 KDM4E (0.54) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL2227475 0.77 MAPT (0.52) RAB9AALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL2227907 0.76 KDM4E (0.61) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL12517341 0.76 KDM4E (0.61) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL2228484 0.75 MAPT (0.44) RAB9AALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL2287837 0.72 KAT2B (0.46) ALDH1A1KDM4ELMNAL3MBTL1MAPT
SCHEMBL2228143 0.71 ALDH1A1 (0.57) NPC1ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL12517358 0.70 GBA1 (0.51) ALDH1A1KDM4ELMNAL3MBTL1GAA
Hydrochloric Acid SCHEMBL2227870 0.70 HPGD (0.44) RAB9ANPC1ALDH1A1KDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011089457-A1 NOVEL MEDICINAL COMPOUNDS URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-07-28 WO claimed
WO-2011089457-A1 NOVEL MEDICINAL COMPOUNDS URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-07-28 WO disclosed
WO-2011089457-A1 NOVEL MEDICINAL COMPOUNDS URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-07-28 WO disclosed