SCHEMBL8089852

SCHEMBL8089852

O=C(CSc1ccnc2ccccc12)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 3/20 0.46
TP53 P04637 2/20 0.46
SLC22A12 Q96S37 1/20 0.42
MAPT P10636 4/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
ALOX15 P16050 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DHODH Q02127 1/20 0.42
MGLL Q99685 3/20 0.41
KDM4E B2RXH2 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
SCHEMBL8076727 0.90 MAPT (0.51) ALDH1A1NPSR1MAPTLMNASMN1; SMN2
SCHEMBL8084820 0.89 ALDH1A1 (0.47) ALDH1A1NPSR1TP53MAPTLMNA
SCHEMBL8084826 0.89 NPC1 (0.50) ALDH1A1NPSR1TP53MAPTTSHR
SCHEMBL8088254 0.89 ADRA2A (0.51) ALDH1A1NPSR1TP53MAPTLMNA
Hydrochloric Acid SCHEMBL8076732 0.88 ADRB2 (0.47) ALDH1A1NPSR1MAPTTSHRLMNA
SCHEMBL8084676 0.87 CCNC (0.46) ALDH1A1NPSR1MAPTTSHRLMNA
SCHEMBL8088295 0.86 MAPT (0.43) ALDH1A1NPSR1MAPTLMNASMN1; SMN2
SCHEMBL8076752 0.85 MEN1 (0.42) ALDH1A1NPSR1MAPTTSHRLMNA
SCHEMBL8084819 0.85 ALDH1A1 (0.43) ALDH1A1NPSR1MAPTLMNASMN1; SMN2
SCHEMBL8084112 0.85 MAPT (0.48) ALDH1A1MAPTLMNASMN1; SMN2HSD17B10

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