SCHEMBL7861258

SCHEMBL7861258

CNCCc1cccc(-c2nc3c(C)cccc3[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 3/20 0.60
MGAM O43451 9/20 0.59
GAA P10253 9/20 0.59
SI P14410 9/20 0.59
MGAM2 Q2M2H8 9/20 0.59
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56
MMP8 P22894 2/20 0.56
MMP13 P45452 1/20 0.54
HPSE Q9Y251 1/20 0.48
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ESR1 P03372 2/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL7141034 0.82 PARP1 (0.72) PARP1
SCHEMBL7861250 0.81 MGAM (0.56) VSIRMGAMGAASIMGAM2
SCHEMBL6378984 0.79 PARP1 (0.51) VSIRMMP2MMP9MMP8MMP13
SCHEMBL7861251 0.78 PARP1 (0.55) VSIRMGAMGAASIMGAM2
SCHEMBL5074029 0.75 MGAM (0.76) MGAMGAASIMGAM2HPSE
SCHEMBL30615069 0.75 MGAM (0.76) MGAMGAASIMGAM2HPSE
SCHEMBL3341620 0.73 HTR7 (0.61) KDM4EALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL1170892 0.72 MGAM (0.71) MGAMGAASIMGAM2ESR1
SCHEMBL7854331 0.72 MGAM (0.58) VSIRMGAMGAASIMGAM2
SCHEMBL7047918 0.72 MGAM (0.68) MGAMGAASIMGAM2HPSE

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-1131301-A1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-09-12 EP disclosed
WO-2000029384-A1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed