SCHEMBL8084141

SCHEMBL8084141

O=C(CSc1ccnc2ccccc12)c1ccc(N2CCN(C(=O)OCC(Cl)(Cl)Cl)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ACVR1 Q04771 1/20 0.37
MAPT P10636 1/20 0.37
IDE P14735 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
METAP1 P53582 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RGS12 O14924 1/20 0.36
HPGD P15428 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KDR P35968 1/20 0.36
CHRM1 P11229 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8089904 0.89 LMNA (0.51) SMN1; SMN2LMNAALDH1A1ACVR1MAPT
SCHEMBL8084125 0.87 TNKS (0.46) SMN1; SMN2LMNAPOLBNPSR1MEN1
SCHEMBL8084112 0.86 MAPT (0.48) SMN1; SMN2LMNAPOLBALDH1A1MAPT
SCHEMBL8084897 0.86 LMNA (0.42) SMN1; SMN2LMNAPOLBALDH1A1ACVR1
SCHEMBL8084115 0.86 MEN1 (0.45) SMN1; SMN2LMNAPOLBALDH1A1ACVR1
SCHEMBL8084900 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1MAPTNPSR1
SCHEMBL8084719 0.85 ALOX15 (0.49) SMN1; SMN2LMNAPOLBALDH1A1MAPT
SCHEMBL8084656 0.84 SMN1; SMN2 (0.39) SMN1; SMN2LMNAPOLBALDH1A1MAPT
SCHEMBL8084676 0.83 CCNC (0.46) SMN1; SMN2LMNAPOLBALDH1A1MAPT
SCHEMBL8084675 0.83 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1MAPTNPSR1

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
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed