SCHEMBL8855434

SCHEMBL8855434

O=C(Oc1ccccc1)n1c(C(F)(F)F)nc2cc(C(F)(F)F)cc([N+](=O)[O-])c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
MITF O75030 1/20 0.45
MC4R P32245 1/20 0.45
MAPT P10636 7/20 0.41
LMNA P02545 5/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
P2RX1 P51575 1/20 0.37
POLB P06746 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
EIF4E P06730 1/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL11645452 0.89 CYP2C9 (0.43) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL8855520 0.85 MAPT (0.39) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL8855435 0.84 TDP1 (0.44) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL8855452 0.83 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL11643098 0.81 MAPT (0.37) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL11648114 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL11643162 0.80 THRA (0.38) MEN1KMT2AALDH1A1HPGDMITF
SCHEMBL8855415 0.80 CYP3A4 (0.42) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL11643353 0.78 CYP3A4 (0.34) ALDH1A1HPGDMAPTLMNAHTT
SCHEMBL11643349 0.78 CYP3A4 (0.34) ALDH1A1HPGDMAPTLMNAHTT

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-5670485-A FEEDS FOR POULTRY WITH O-PHENYLENEDIAMINE OR BENZIMIDAZOLE WITH POLYETHER ANTIBIOTICS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-4122184-A Benzimidazole insecticides ELI LILLY AND COMPANY (US) 1978-10-24 US disclosed