SCHEMBL9807405

SCHEMBL9807405

Cc1cc(-c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ GPR35 Q9HC97 2/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPBWR1 P48145 1/20 0.43
▸ HTR1E P28566 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
SCHEMBL9807385 0.89 ALDH1A1 (0.53) ALDH1A1GPR35MAPTTDP1MEN1
SCHEMBL9807428 0.84 TSHR (0.50) ALDH1A1GPR35GSK3AGSK3BMAPT
SCHEMBL2036487 0.80 ALDH1A1 (0.65) ALDH1A1GPR35MAPTTDP1MEN1
SCHEMBL16712983 0.77 ESR2 (0.56) ALDH1A1GPR35MAPTTDP1MEN1
SCHEMBL16701937 0.77 HSD17B1 (0.51) ALDH1A1GPR35MAPTTDP1MAPK1
SCHEMBL9807400 0.76 CYP1A2 (0.45) ALDH1A1GPR35MAPTTDP1MEN1
SCHEMBL6723884 0.75 LMNA (0.66) ALDH1A1GPR35MAPTMEN1KMT2A
SCHEMBL12644251 0.74 MAOB (0.59) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL13552108 0.74 KMT2A (0.59) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL4541837 0.73 GPR35 (0.47) ALDH1A1GPR35GSK3AGSK3BMAPT

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
US-4994545-A Polyetherimide ETHYL CORPORATION (US) 1991-02-19 — — US disclosed
US-4990627-A Polyetherimides and their production ETHYL CORPORATION (US) 1991-02-05 — — US disclosed
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