SCHEMBL27814929

SCHEMBL27814929

Cc1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ CYP1A2 P05177 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ MAPT P10636 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ ADORA2B P29275 1/20 0.57
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TRPA1 O75762 1/20 0.55
▸ TP53 P04637 1/20 0.55

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
SCHEMBL18166729 0.89 RXFP1 (0.64) RXFP1HSD17B10CYP1A2KDM4ETSHR
SCHEMBL12584286 0.83 MAPT (0.61) RXFP1HSD17B10CYP1A2KDM4ETSHR
SCHEMBL10114157 0.81 POLB (0.60) RXFP1HSD17B10CYP1A2KDM4ETSHR
SCHEMBL18166643 0.81 RXFP1 (0.72) RXFP1HSD17B10CYP1A2KDM4EMAPT
SCHEMBL18166769 0.80 KDM4E (0.72) RXFP1HSD17B10CYP1A2KDM4ETSHR
SCHEMBL18166652 0.80 RXFP1 (0.65) RXFP1HSD17B10CYP1A2KDM4ETSHR
SCHEMBL10113978 0.79 KDM4E (0.73) RXFP1HSD17B10CYP1A2KDM4ETSHR
SCHEMBL18166585 0.79 KMT2A (0.60) RXFP1HSD17B10CYP1A2KDM4ETSHR
SCHEMBL18166615 0.79 CYP1A2 (0.66) RXFP1HSD17B10CYP1A2KDM4ETSHR
SCHEMBL10113950 0.79 KDM4E (0.78) RXFP1HSD17B10CYP1A2KDM4ETSHR

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
CN-101801362-B Methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2014-01-22 — — CN disclosed
CN-101801362-A methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2010-08-11 — — CN disclosed
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