SCHEMBL8095455

SCHEMBL8095455

CNc1ccc([N+](=O)[O-])c(NC)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.45
HTT P42858 1/20 0.43
MAPT P10636 6/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
CDC25B P30305 1/20 0.38
ALDH3A1 P30838 1/20 0.38
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.36
RECQL P46063 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL8088800 0.85 HCAR3 (0.47) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL944514 0.84 TDP1 (0.44) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL31257496 0.82 KMT2A (0.42) MAPTKMT2AALDH1A1TDP1ATM
SCHEMBL26790809 0.81 TDP1 (0.47) ALDH1A1TDP1ATMLMNATSHR
SCHEMBL30273906 0.81 ALDH1A1 (0.39) HCAR3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL25339286 0.81 ALDH1A1 (0.39) HCAR3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL26973962 0.80 MAPT (0.51) HTTMAPTKMT2AALDH1A1CYP1A2
SCHEMBL626311 0.78 ALDH1A1 (0.46) MAPTKMT2AALDH1A1TDP1LMNA
SCHEMBL24246357 0.76 KCNQ3 (0.48) HTTMAPTKMT2AALDH1A1POLB
SCHEMBL8097768 0.75 HCAR3 (0.49) HCAR3HTTMAPTKMT2AALDH1A1

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-0743848-B1 2-FLUORO-6-NITROANILINES HENKEL KGAA (DE) 2000-11-08 EP disclosed