SCHEMBL8816632

SCHEMBL8816632

Cc1cccc(-c2nc3c(Cc4ccc(Cl)cc4)cccc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 9/20 0.56
GAA P10253 9/20 0.56
SI P14410 9/20 0.56
MGAM2 Q2M2H8 9/20 0.56
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 1/20 0.51
NR1I3 Q14994 1/20 0.46
PARP1 P09874 2/20 0.43
PTGES O14684 1/20 0.42
PBRM1 Q86U86 1/20 0.41
VSIR Q9H7M9 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
GRIN2B Q13224 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
TNKS O95271 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
SCHEMBL8816726 0.89 MGAM (0.62) MGAMGAASIMGAM2MAPK1
SCHEMBL8818707 0.88 MGAM (0.51) MGAMGAASIMGAM2MAPK1
SCHEMBL8818781 0.86 MGAM (0.54) MGAMGAASIMGAM2MAPK1
SCHEMBL8817500 0.86 NPC1 (0.53) MGAMGAASIMGAM2RAB9A
SCHEMBL8816713 0.84 MGAM (0.51) MGAMGAASIMGAM2RAB9A
SCHEMBL8817558 0.84 MGAM (0.51) MGAMGAASIMGAM2RAB9A
Bromide SCHEMBL8818674 0.81 MGAM (0.60) MGAMGAASIMGAM2NR1I3
SCHEMBL6686102 0.81 MGAM (0.62) MGAMGAASIMGAM2MAPK1
SCHEMBL8816929 0.81 PARP1 (0.51) MGAMGAASIMGAM2RAB9A
SCHEMBL8818832 0.80 PARP1 (0.54) MGAMGAASIMGAM2MAPK1

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
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed