SCHEMBL8076795

SCHEMBL8076795

COc1cc(C(=O)CSc2ccnc3ccccc23)ccc1OCC(O)CO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
AGTR1 P30556 1/20 0.45
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GCGR P47871 2/20 0.41
HSD11B1 P28845 5/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL8084786 0.82 GCGR (0.59) LMNACYP1A2KDM4ETSHRMAPT
SCHEMBL8076711 0.81 MAPT (0.51) LMNACYP1A2KDM4ETSHRMAPT
SCHEMBL8076707 0.81 TSHR (0.42) LMNACYP1A2KDM4ETSHRMAPT
SCHEMBL8089833 0.80 PPARG (0.57) LMNACYP1A2KDM4EMAPTPOLB
SCHEMBL8076747 0.74 CYP1A2 (0.55) LMNACYP1A2KDM4EMAPTPOLB
SCHEMBL2743809 0.74 MEN1 (0.63) LMNACYP1A2AGTR1KDM4ETSHR
SCHEMBL30989216 0.74 MEN1 (0.63) LMNACYP1A2AGTR1KDM4ETSHR
SCHEMBL8084836 0.73 ALDH1A1 (0.54) LMNACYP1A2KDM4ETSHRMAPT
SCHEMBL8088063 0.73 CYP1A2 (0.46) LMNACYP1A2TSHRPOLBALDH1A1
SCHEMBL8084741 0.72 ALDH1A1 (0.50) LMNACYP1A2KDM4EMAPTPOLB

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