SCHEMBL8088233

SCHEMBL8088233

O=C(CSc1ccnc2ccccc12)c1ccc(N2CCOCC2)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ACP1 P24666 1/20 0.40
METAP1 P53582 1/20 0.38
KDR P35968 2/20 0.38
RAF1 P04049 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
FGFR1 P11362 1/20 0.38
BRAF P15056 1/20 0.38
TEK Q02763 1/20 0.38
TSHR P16473 3/20 0.37
USP2 O75604 2/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL8076727 0.85 MAPT (0.51) RAB9ANPC1ALDH1A1HTTATM
SCHEMBL8089838 0.85 ALDH1A1 (0.35) RAB9ANPC1ALDH1A1HTTMAPT
SCHEMBL8084820 0.78 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1MAPTNPSR1
SCHEMBL8089852 0.76 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1HTTMAPT
SCHEMBL8088254 0.74 ADRA2A (0.51) RAB9ANPC1ALDH1A1MAPTNPSR1
SCHEMBL8084826 0.74 NPC1 (0.50) RAB9ANPC1ALDH1A1HTTMAPT
SCHEMBL8084836 0.74 ALDH1A1 (0.54) RAB9ANPC1ALDH1A1HTTMAPT
Hydrochloric Acid SCHEMBL8076732 0.73 ADRB2 (0.47) ALDH1A1MAPTNPSR1KDRTSHR
SCHEMBL8089897 0.73 HDAC6 (0.50) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL8084676 0.73 CCNC (0.46) RAB9ANPC1ALDH1A1MAPTNPSR1

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