SCHEMBL5364626

SCHEMBL5364626

O=CNc1ccccc1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.44
TSHR P16473 1/20 0.42
DHODH Q02127 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2A6 P11509 1/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPRC P08575 1/20 0.39
DPP4 P27487 1/20 0.38
KDM5A P29375 1/20 0.37
ERN1 O75460 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL227131 0.83 TSHR (0.47) PABPC1TSHRALDH1A1HPGDNPC1
SCHEMBL28874744 0.77 TDP1 (0.44) PABPC1TSHRALDH1A1HPGDNPC1
SCHEMBL14625516 0.76 KDM5A (0.41) PABPC1TSHRALDH1A1HPGDKDM5A
SCHEMBL28166832 0.75 PABPC1 (0.52) PABPC1TSHRALDH1A1HPGDMEN1
SCHEMBL2292418 0.75 ALDH1A1 (0.49) PABPC1TSHRALDH1A1HPGDMEN1
SCHEMBL448938 0.75 MEN1 (0.50) PABPC1TSHRDHODHALDH1A1HPGD
SCHEMBL8763290 0.75 ALDH1A1 (0.57) PABPC1TSHRALDH1A1CYP2A6NPC1
SCHEMBL30527294 0.75 ALDH1A1 (0.57) PABPC1TSHRALDH1A1CYP2A6NPC1
SCHEMBL16319787 0.73 PABPC1 (0.54) PABPC1TSHRALDH1A1HPGDNPC1
SCHEMBL20341641 0.73 TDP1 (0.38) PABPC1ALDH1A1CYP2A6NPC1RAB9A

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-2007137103-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-11-29 WO claimed