SCHEMBL25434232

SCHEMBL25434232

O=C(Nc1ccccc1Cl)c1cc([N+](=O)[O-])c2ccccc2c1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.57
▸ NOD1 Q9Y239 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CYP1A2 P05177 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KCNMA1 Q12791 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ RORC P51449 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CCR6 P51684 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL7159721 0.81 CRHBP (0.67) L3MBTL1CYP1A2HPGDCYP2C19KCNMA1
SCHEMBL9867130 0.80 CXCR2 (0.58) L3MBTL1CYP1A2HPGDCYP2C19KCNMA1
SCHEMBL14422306 0.79 CYP1A2 (0.56) TNFNOD1CYP1A2HPGDCYP2C19
SCHEMBL6659637 0.79 L3MBTL1 (0.57) TNFNOD1L3MBTL1CYP1A2HPGD
SCHEMBL5692623 0.75 TDP1 (0.63) TNFNOD1L3MBTL1LMNAMAPT
SCHEMBL34474784 0.74 RORC (0.73) CYP1A2CYP2C19KCNMA1POLBRORC
SCHEMBL27707704 0.74 MAPT (0.60) TNFNOD1HPGDPOLBMAPT
SCHEMBL18146442 0.74 RORC (0.81) CYP1A2CYP2C19POLBRORCLMNA
SCHEMBL11339110 0.73 MEN1 (0.68) TNFNOD1CYP1A2HPGDCYP2C19
SCHEMBL11650523 0.73 HTT (0.56) KCNMA1MAPTHTTMEN1KMT2A

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
WO-2023161832-A1 MEASUREMENT, DIAGNOSIS, TREATMENT AND MANAGEMENT OF METABOLIC SYNDROME GARCIA SADA FERNANDO (MX) 2023-08-31 — — WO claimed
WO-2023161832-A1 MEASUREMENT, DIAGNOSIS, TREATMENT AND MANAGEMENT OF METABOLIC SYNDROME GARCIA SADA FERNANDO (MX) 2023-08-31 — — WO disclosed
Send feedback