SCHEMBL7144409

SCHEMBL7144409

O=C(O)c1ccc(SCc2ccccn2)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
SYK P43405 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C9 P11712 1/20 0.40
MAPT P10636 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL7143732 0.87 L3MBTL1 (0.46) DAOLMNAHTTSYKAURKB
SCHEMBL4321171 0.76 POLB (0.56) DAOLMNAALDH1A1KMT2APOLB
SCHEMBL7144129 0.76 FNTA (0.55) KMT2ARAB9A
SCHEMBL29405082 0.72 NPC1 (0.59) DAOLMNAALDH1A1CYP1A2TSHR
SCHEMBL432670 0.72 NPC1 (0.59) DAOLMNAALDH1A1CYP1A2TSHR
SCHEMBL3443470 0.71 LMNA (0.44) LMNAHTTSYKAURKBINCENP
SCHEMBL9360323 0.70 DAO (0.56) DAOLMNAALDH1A1HPGDCYP1A2
SCHEMBL9656225 0.70 DAO (0.55) DAOLMNAALDH1A1KMT2ACYP1A2
SCHEMBL11177471 0.69 GRM5 (0.50) DAOLMNAHTTSYKALDH1A1
SCHEMBL10334618 0.67 ACMSD (0.62) ALDH1A1KMT2AMCL1PTPN1PTPN2

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
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed