SCHEMBL6659637

SCHEMBL6659637

O=C(Nc1ccccc1Cl)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CYP1A2 P05177 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KCNMA1 Q12791 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 1/20 0.48
▸ CCR6 P51684 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48
▸ TNF P01375 1/20 0.48
▸ NOD1 Q9Y239 1/20 0.48
▸ RORC P51449 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PHGDH O43175 1/20 0.47

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 0.84 CRHBP (0.67) L3MBTL1CYP1A2HPGDCYP2C19KCNMA1
SCHEMBL19583271 0.81 KMT2A (0.59) KCNMA1LMNARORCCRHBPCRHR2
SCHEMBL25434232 0.79 TNF (0.57) L3MBTL1CYP1A2HPGDCYP2C19KCNMA1
SCHEMBL9867130 0.78 CXCR2 (0.58) L3MBTL1CYP1A2HPGDCYP2C19KCNMA1
SCHEMBL8054226 0.75 CRHBP (0.58) L3MBTL1KCNMA1LMNAMAPTCRHBP
SCHEMBL27754113 0.75 KMT2A (0.61) CYP1A2HPGDCYP2C19POLBLMNA
SCHEMBL11794196 0.74 RORC (0.47) CYP1A2CYP2C19POLBLMNAMAPT
SCHEMBL7161319 0.73 CRHBP (0.77) L3MBTL1KCNMA1POLBLMNAMAPT
SCHEMBL34474784 0.73 RORC (0.73) CYP1A2CYP2C19KCNMA1POLBLMNA
SCHEMBL18146442 0.72 RORC (0.81) CYP1A2CYP2C19POLBLMNAMAPT

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
WO-2004006906-A2 METHODS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 — — WO claimed
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