SCHEMBL8028472

SCHEMBL8028472

O=[N+]([O-])c1ccccc1SC1CCC(Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 7/20 0.51
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
KDM4A O75164 1/20 0.49
TDP2 O95551 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
PDE7A Q13946 2/20 0.44
HPGD P15428 4/20 0.43
PKM P14618 1/20 0.42
GAA P10253 5/20 0.42
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MCL1 Q07820 2/20 0.42
ALOX12 P18054 2/20 0.42
BLM P54132 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL875286 0.92 MAPT (0.57) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL5262117 0.85 MAPT (0.62) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL6759187 0.84 MAPT (0.65) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL31315669 0.84 MAPT (0.65) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL8328341 0.76 MAPT (0.56) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL397345 0.70 PDE7A (0.56) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL31272173 0.69 PDE7A (0.78) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL224666 0.69 PDE7A (0.60) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL875772 0.69 PDE7A (0.78) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL8724028 0.69 MAPK1 (0.61) MAPTALDH1A1NPSR1MEN1KMT2A

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
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed