SCHEMBL27465685

SCHEMBL27465685

COc1ccc(Cc2c(-c3ccccc3)c(Cl)nc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 2/20 0.46
LTA4H P09960 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
ACACA Q13085 1/20 0.45

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
SCHEMBL28158379 0.83 ALDH1A1 (0.52) NPSR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL8086014 0.81 ALDH1A1 (0.55) NPSR1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL31553215 0.72 NPSR1 (0.50) NPSR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL984055 0.72 LTA4H (0.67) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL10843932 0.72 LTA4H (0.58) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL28593997 0.71 LMNA (0.61) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL8577094 0.71 SMN1; SMN2 (0.61) NPSR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL8934551 0.71 VKORC1 (0.66) ALDH1A1HPGDKDM4ECYP19A1
SCHEMBL304562 0.71 KDM4E (0.61) NPSR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL28174587 0.71 LTA4H (0.56) NPSR1ALDH1A1LMNAKMT2AHTT

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
CN-1138458-A Treatment and prevention of prostatic cancer LILLY CO ELI (US) 1996-12-25 CN disclosed