SCHEMBL8891044

SCHEMBL8891044

Oc1cccc(-c2nc3c(-c4ccccc4)cccc3[nH]2)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 6/20 0.68
GAA P10253 6/20 0.68
SI P14410 6/20 0.68
MGAM2 Q2M2H8 6/20 0.68
PARP1 P09874 4/20 0.61
PTPN1 P18031 1/20 0.56
DHODH Q02127 6/20 0.49
MAPK13 O15264 1/20 0.49
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
BRDT Q58F21 1/20 0.49
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47

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
SCHEMBL4457030 0.89 DHODH (0.53) MGAMGAASIMGAM2PARP1
SCHEMBL8818574 0.87 GAA (0.64) MGAMGAASIMGAM2PARP1
SCHEMBL230979 0.86 DHODH (0.53) MGAMGAASIMGAM2PARP1
SCHEMBL31027957 0.86 DHODH (0.59) MGAMGAASIMGAM2PARP1
SCHEMBL7146754 0.84 DHODH (0.62) MGAMGAASIMGAM2PARP1
SCHEMBL1170898 0.84 DHODH (0.54) MGAMGAASIMGAM2PARP1
SCHEMBL9346643 0.82 GAA (0.54) MGAMGAASIMGAM2PARP1
SCHEMBL8818524 0.82 MGAM (0.68) MGAMGAASIMGAM2PARP1
SCHEMBL8816555 0.82 DHODH (0.51) MGAMGAASIMGAM2PARP1
SCHEMBL8817536 0.82 NR1I3 (0.58) MGAMGAASIMGAM2PARP1

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