SCHEMBL17501665

SCHEMBL17501665

COc1c(C)cc2[nH]c(=O)n(CCCOCc3ccccc3)c(=O)c2c1Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPC5 Q9UL62 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOB P27338 1/20 0.35
ALKBH3 Q96Q83 2/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34

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
SCHEMBL17501694 0.73 TRPC5 (0.68) KDM4EUSP2ALDH1A1TSHRHSD17B10
SCHEMBL17501680 0.70 HSD17B10 (0.49) MAPTTP53KDM4EHPGDALDH1A1
SCHEMBL17517369 0.66 TRPC5 (0.67) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL17501656 0.65 TRPC5 (0.63) MAPTKDM4EHPGDALDH1A1HSD17B10
SCHEMBL4211573 0.63 CA12 (0.51) TP53KDM4EGAAHPGDALDH1A1
SCHEMBL20752037 0.62 TRPC5 (0.53) MAPTTP53KDM4EGAAHPGD
SCHEMBL6508709 0.61 GAA (0.42) MAPTTP53KDM4EGAAHPGD
SCHEMBL4211671 0.60 CA12 (0.54) MAPTKDM4EGAAHPGDUSP2
SCHEMBL17517371 0.60 TRPC5 (0.61) TP53TSHRTRPC5LMNAKMT2A
SCHEMBL17501699 0.60 TRPC5 (0.67) MAPTTP53KDM4EHPGDALDH1A1

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
EP-3180318-A1 QUINAZOLINE-2,4(1H,3H)-DIONE DERIVATIVES AS TRCP5 MODULATORS FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS Hydra Biosciences, Inc. (US) 2017-06-21 EP disclosed
WO-2016023826-A1 QUINAZOLINE-2,4(1H,3H)-DIONE DERIVATIVES AS TRCP5 MODULATORS FOR THE TREATMENT OF NEUROPSYCHIATRY DISORDERS HYDRA BIOSCIENCES, INC. (US) 2016-02-18 WO disclosed