Sugi Predict

Sugi Predict / Compounds / SCHEMBL23336293

SCHEMBL23336293

SCHEMBL23336293

CC(C1Cc2cc(F)ccc2O1)N1CCN(C(=O)COC2CCC(N(C)c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.35
▸ AR P10275 4/20 0.34
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ SRD5A1 P18405 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ MAOA P21397 1/20 0.30

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
SCHEMBL15724810 1.00 ENPP2 (0.35) ENPP2ARMAPTRAB9ASTAT3
SCHEMBL17868385 0.89 AR (0.37) ENPP2ARSTAT3
SCHEMBL15708003 0.89 AR (0.37) ENPP2ARSTAT3
SCHEMBL15708002 0.89 AR (0.37) ENPP2ARSTAT3
SCHEMBL15750256 0.89 AR (0.37) ENPP2ARSTAT3
SCHEMBL20262101 0.89 AR (0.37) ENPP2ARSTAT3
SCHEMBL15707992 0.89 ENPP2 (0.36) ENPP2ARMAPTRAB9ASTAT3
SCHEMBL15724708 0.89 ENPP2 (0.36) ENPP2ARMAPTRAB9ASTAT3
SCHEMBL15724812 0.82 AR (0.36) ENPP2ARMAPTSTAT3
SCHEMBL15727731 0.82 STAT3 (0.39) ENPP2ARSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 — — EP disclosed