SCHEMBL9712499

SCHEMBL9712499

O=[C]c1cccc(C(=O)c2ccccc2F)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 8/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GMNN O75496 1/20 0.46
TTR P02766 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL6212223 0.84 ALDH1A1 (0.47) MAPTALDH1A1RAB9AKDM4ECYP3A4
SCHEMBL2355479 0.83 LMNA (0.47) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL5082416 0.82 TTR (0.41) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL3496237 0.80 TDP1 (0.41) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL9712669 0.80 NPSR1 (0.35) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL9712388 0.76 CES2 (0.44) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5140819 0.75 CES2 (0.47) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL9079084 0.74 ALDH1A1 (0.46) MAPTALDH1A1RAB9AKDM4ECYP3A4
SCHEMBL11594465 0.74 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4TSHRGPR35
SCHEMBL5614002 0.74 LMNA (0.49) MAPTALDH1A1RAB9AMEN1KMT2A

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
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed