SCHEMBL30167007

SCHEMBL30167007

CNc1cc(Oc2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.53
MAPT P10636 5/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.43
SIRT5 Q9NXA8 1/20 0.41
ALDH3A1 P30838 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL13211382 0.91 MAPT (0.53) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL5341171 0.85 ALDH1A1 (0.50) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3488024 0.85 HSPB1 (0.59) HSPB1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL6544182 0.84 MAPT (0.45) HSPB1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL29705127 0.82 TDP1 (0.58) HSPB1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL503378 0.82 TDP1 (0.58) HSPB1MAPTKMT2AALDH1A1CYP1A2
SCHEMBL2531644 0.80 HSPB1 (0.57) HSPB1MAPTKMT2AALDH1A1LMNA
SCHEMBL487069 0.80 MAPT (0.44) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL487216 0.80 AKR1C3 (0.57) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL18638519 0.79 FPR2 (0.46) HSPB1MAPTKMT2AALDH1A1LMNA

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
CN-115768761-B Novel benzimidazole derivatives 卡尔那生物科学株式会社 2025-02-25 CN disclosed
CN-115768761-A Novel benzimidazole derivatives 卡尔那生物科学株式会社 2023-03-07 CN disclosed