SCHEMBL9040652

SCHEMBL9040652

Cc1cc2c(-c3ccccc3Cl)c([N+](=O)[O-])cnc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
PIN1 Q13526 4/20 0.35
LMNA P02545 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 4/20 0.34
MAPK1 P28482 1/20 0.34
USP7 Q93009 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
MAPT P10636 6/20 0.34
KDM4E B2RXH2 5/20 0.34
PKM P14618 3/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
NLRP3 Q96P20 1/20 0.34
EIF4E P06730 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9042591 0.85 SELE (0.40) LMNAALDH1A1HTTNR1H4MAPT
SCHEMBL9041750 0.81 HSD17B10 (0.38) HSD11B1PIN1LMNAALDH1A1HTT
SCHEMBL9163609 0.79 HSD11B1 (0.39) HSD11B1PIN1LMNAALDH1A1HTT
SCHEMBL9041345 0.79 ALDH1A1 (0.37) HSD11B1LMNAALDH1A1MAPK1USP7
SCHEMBL9040983 0.79 PKM (0.36) HSD11B1PIN1LMNAALDH1A1HTT
SCHEMBL9159576 0.78 MAPT (0.40) HSD11B1PIN1LMNAALDH1A1HTT
SCHEMBL9164809 0.78 HSD11B1 (0.41) HSD11B1PIN1LMNAALDH1A1HTT
SCHEMBL9836921 0.78 MAPT (0.36) PIN1LMNAALDH1A1USP7MAPT
SCHEMBL9163731 0.77 HSD11B1 (0.38) HSD11B1PIN1LMNAALDH1A1HTT
SCHEMBL9166566 0.77 MAPT (0.43) HSD11B1LMNAALDH1A1HTTMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0472116-B1 Thienopyridine Derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-01-31 EP disclosed
US-5256782-A For anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-26 US disclosed
US-5143919-A Acyl-CoA:cholesterol acyltransferase inhibitors; anticholesterol agents; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
EP-0472116-A1 Thienopyridine Derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-02-26 EP disclosed