SCHEMBL31067264

SCHEMBL31067264

O=[N+]([O-])c1ccc2cc(F)cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.46
CYP3A4 P08684 2/20 0.45
LMNA P02545 2/20 0.45
NOS1 P29475 2/20 0.45
ALOX15 P16050 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
GPR35 Q9HC97 1/20 0.43
HIF1A Q16665 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL31067280 0.87 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4NOS1TXNRD1
SCHEMBL7260391 0.81 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL3367818 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL10076711 0.80 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL3376363 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL3354282 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL29253977 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL31696758 0.80 MAPT (0.48) ALDH1A1MAPTCYP3A4LMNANOS1
SCHEMBL31378665 0.79 ALDH1A1 (0.51) ALDH1A1MAPTTXNRD1TXNRD3TXNRD2
SCHEMBL28129924 0.77 MAPT (0.46) ALDH1A1MAPTCYP3A4LMNANOS1

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
CN-118496154-A Quinoline group-containing triptycene diamine monomer, polymer and preparation method 吉林大学 2024-08-16 CN disclosed