SCHEMBL31067262

SCHEMBL31067262

O=[N+]([O-])c1ccc2ccc(F)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.39
BACE1 P56817 1/20 0.39
KMT2A Q03164 2/20 0.38
SOS1 Q07889 1/20 0.38
TYMS P04818 2/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
FSCN1 Q16658 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
HSPB1 P04792 3/20 0.35

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
SCHEMBL31067266 0.89 BACE1 (0.52) ATMTDP1KDM4EBACE1KMT2A
SCHEMBL371826 0.75 RAB9A (0.53) KDM4EBACE1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL27441126 0.73 RAB9A (0.51) KDM4EBACE1KMT2AALDH1A1MAPT
SCHEMBL9393014 0.70 CYP1A2 (0.55) BACE1KMT2AALDH1A1MAPTMEN1
SCHEMBL6665214 0.69 KDM4E (0.43) TDP1KDM4EBACE1KMT2AALDH1A1
SCHEMBL25196663 0.69 KDM4E (0.41) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL30492597 0.69 KDM4E (0.41) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL31401136 0.68 MAPT (0.47) ATMTDP1KMT2ASOS1MAPT
SCHEMBL169463 0.68 MAPT (0.47) ATMTDP1KMT2ASOS1MAPT
SCHEMBL31067260 0.68 ALDH1A1 (0.45) TDP1KDM4EKMT2ATYMSALDH1A1

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