SCHEMBL8668740

SCHEMBL8668740

Clc1ccc2nc(Cl)nc(SCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 4/20 0.48
PDE5A O76074 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 3/20 0.46
LMNA P02545 3/20 0.46
PKM P14618 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
RAB9A P51151 2/20 0.43
DAO P14920 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
SCHEMBL8015110 0.81 ALDH1A1 (0.46) ALDH1A1KMT2APDE5ASMN1; SMN2MEN1
SCHEMBL7787847 0.79 PDE4A (0.70) ALDH1A1KMT2APDE5AMEN1HPGD
SCHEMBL6939960 0.77 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL8013228 0.77 PDE5A (0.52) ALDH1A1KMT2APDE5ASMN1; SMN2MEN1
SCHEMBL4924574 0.77 PDE5A (0.72) ALDH1A1KMT2APDE5ASMN1; SMN2MEN1
SCHEMBL7505789 0.75 PDE5A (0.57) ALDH1A1KMT2APDE5ASMN1; SMN2MEN1
SCHEMBL27364625 0.71 MPO (0.53) ALDH1A1KMT2APDE5ASMN1; SMN2MEN1
SCHEMBL27382271 0.71 PDE5A (0.49) ALDH1A1KMT2APDE5ASMN1; SMN2MEN1
SCHEMBL7797390 0.70 PDE5A (0.48) ALDH1A1KMT2APDE5ASMN1; SMN2MEN1
SCHEMBL7797387 0.70 PDE5A (0.62) ALDH1A1KMT2APDE5ASMN1; SMN2MEN1

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
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP disclosed