SCHEMBL8084676

SCHEMBL8084676

CC(=O)N1CCN(c2ccc(C(=O)CSc3ccnc4ccccc34)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GFER P55789 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NCF1 P14598 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL8088254 0.90 ADRA2A (0.51) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL8084112 0.89 MAPT (0.48) POLBMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL8076752 0.89 MEN1 (0.42) TSHRPOLBNPC1RAB9AMAPT
SCHEMBL8089904 0.88 LMNA (0.51) TSHRMAPTALDH1A1GAAMAPK1
SCHEMBL8084826 0.88 NPC1 (0.50) TSHRPOLBNPC1RAB9AMAPT
SCHEMBL8084820 0.88 ALDH1A1 (0.47) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL8089852 0.87 ALDH1A1 (0.46) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL8084900 0.87 SMN1; SMN2 (0.46) TSHRNPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL8088222 0.87 DRD2 (0.43) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL8076727 0.86 MAPT (0.51) POLBNPC1RAB9AMAPTALDH1A1

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