SCHEMBL8855552

SCHEMBL8855552

O=C(Oc1ccccc1)n1c(C(F)(F)Cl)nc2c([N+](=O)[O-])cc(C(F)(F)F)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
MITF O75030 1/20 0.43
MC4R P32245 1/20 0.43
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36

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
SCHEMBL8855452 0.93 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL8855511 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL11641799 0.84 OGT (0.40) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL11645213 0.84 HRAS (0.38) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL8855615 0.84 FAAH (0.40) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL8855420 0.83 CYP3A4 (0.39) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL8855512 0.82 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL11642726 0.82 POLB (0.41) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL11642556 0.82 MAPT (0.42) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL11642761 0.81 MAPT (0.37) MEN1KMT2AALDH1A1HPGDMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US claimed
US-5670485-A FEEDS FOR POULTRY WITH O-PHENYLENEDIAMINE OR BENZIMIDAZOLE WITH POLYETHER ANTIBIOTICS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US disclosed