SCHEMBL8668935

SCHEMBL8668935

C(=Cc1ccccc1)CN1CCN(c2ncsn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.55
ALDH1A1 P00352 6/20 0.55
TSHR P16473 4/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP3A4 P08684 3/20 0.50
HIF1A Q16665 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 3/20 0.50
MAPK1 P28482 3/20 0.50
GAA P10253 2/20 0.50
HTR1A P08908 2/20 0.50
GMNN O75496 1/20 0.50
ABCB11 O95342 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL8558370 0.83 ALDH1A1 (0.53) LMNAALDH1A1TSHRCYP3A4HIF1A
SCHEMBL2579539 0.79 LMNA (0.72) LMNAALDH1A1TSHRKDM4ECYP3A4
SCHEMBL28492580 0.76 KDM4E (0.61) LMNAALDH1A1TSHRKDM4ECYP3A4
SCHEMBL8555816 0.76 SIGMAR1 (0.56) ALDH1A1TSHRKDM4EGAASIGMAR1
SCHEMBL8558558 0.73 MAPT (0.61) LMNAALDH1A1TSHRNPSR1MAPK1
SCHEMBL11036914 0.72 LTA4H (0.77) LMNAALDH1A1TSHRKDM4ECYP3A4
SCHEMBL613704 0.72 LTA4H (0.77) LMNAALDH1A1TSHRKDM4ECYP3A4
SCHEMBL14433472 0.72 LMNA (0.57) LMNAALDH1A1TSHRKDM4ECYP3A4
SCHEMBL7261524 0.71 LMNA (0.62) LMNAALDH1A1TSHRKDM4ECYP3A4
SCHEMBL43559 0.71 LMNA (0.58) LMNAALDH1A1TSHRKDM4ECYP3A4

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-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO claimed