SCHEMBL8305736

SCHEMBL8305736

CCCCOC(=O)C1Cc2c(NN3C=NCC3)ccc(C)c2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31

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
Acetic Acid SCHEMBL8306061 0.83 L3MBTL1 (0.34) HPGDL3MBTL1ATMNPC1RAB9A
SCHEMBL8305735 0.78 CYP1A2 (0.34) HPGDL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL8301307 0.76 HSD17B10 (0.39) HPGDNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL8304121 0.72 ALDH1A1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL8434188 0.69 L3MBTL1 (0.38) HPGDL3MBTL1ATMALDH1A1KDM4E
SCHEMBL8326659 0.64 KDM4E (0.45) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL11037027 0.63 ALDH1A1 (0.42) HPGDL3MBTL1ATMNPC1SMN1; SMN2
Acetic Acid SCHEMBL8306059 0.62 L3MBTL1 (0.32) HPGDL3MBTL1ATMNPC1RAB9A
SCHEMBL27492109 0.60 GAA (0.54) L3MBTL1ALDH1A1MAPTTP53CHRM2
SCHEMBL8300493 0.60 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944621-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023610-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed