SCHEMBL3821376

SCHEMBL3821376

N/N=C(\c1cccc(O)c1)c1nc(Nc2ccc(F)cc2)nc(N2CCCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ NPSR1 Q6W5P4 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PTGS2 P35354 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ TAAR1 Q96RJ0 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
SCHEMBL3813166 1.00 CA12 (0.47) CA12CA1CA2CA9NPSR1
SCHEMBL3813156 0.74 MAPT (0.66) NPSR1ALDH1A1GAAHPGDKMT2A
Hydrochloric Acid SCHEMBL32687831 0.70 KMT2A (0.67) CA12CA1CA2CA9NPSR1
SCHEMBL6712601 0.68 GAA (0.46) NPSR1ALDH1A1GAAHPGDKMT2A
SCHEMBL6712597 0.68 GAA (0.46) NPSR1ALDH1A1GAAHPGDKMT2A
SCHEMBL6502277 0.65 SMN1; SMN2 (0.47) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL14503761 0.65 KMT2A (0.70) NPSR1ALDH1A1GAAKMT2AHTT
SCHEMBL13757504 0.65 GALR2 (0.57) NPSR1ALDH1A1GAAHPGDKMT2A
SCHEMBL14504953 0.65 PTGS2 (0.61) CA12CA1CA2CA9NPSR1
SCHEMBL14504523 0.65 PTGS2 (0.72) CA12CA1CA2CA9NPSR1

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-2009020267-A1 COMPETITORS OF MICROPHTHALMIA TRANSCRIPTION FACTOR AND THE COSMETIC COMPOSITION COMPRISING THEREOF INHA-INDUSTRY PARTNERSHIP INSTITUTE (KR) 2009-02-12 — — WO claimed
WO-2009020267-A1 COMPETITORS OF MICROPHTHALMIA TRANSCRIPTION FACTOR AND THE COSMETIC COMPOSITION COMPRISING THEREOF INHA-INDUSTRY PARTNERSHIP INSTITUTE (KR) 2009-02-12 — — WO disclosed
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