SCHEMBL5821147

SCHEMBL5821147

O=c1c2ccccc2nnn1CC1CO1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 2/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.49
DHFR P00374 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
SCHEMBL12247551 0.76 ALDH1A1 (0.78) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL8878218 0.74 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11349671 0.74 MEN1 (0.76) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL10720311 0.74 DHFR (0.59) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL28239167 0.73 SMN1; SMN2 (0.55) ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL19328958 0.73 LMNA (0.54) ALDH1A1KMT2ARAB9ASMN1; SMN2HTT
SCHEMBL877317 0.72 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL15203552 0.72 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL379507 0.72 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL4873292 0.72 KMT2A (1.00) ALDH1A1MEN1KMT2ARAB9ANPC1

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-2006117760-A1 ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed