SCHEMBL4010077

SCHEMBL4010077

O=Cc1coc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.81
▸ ERN1 O75460 1/20 0.50
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ PTPN2 P17706 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 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
SCHEMBL29954392 0.89 PTPN1 (1.00) PTPN1ERN1MAOAMAOBALDH1A1
SCHEMBL1997539 0.89 PTPN1 (1.00) PTPN1ERN1MAOAMAOBALDH1A1
SCHEMBL29951939 0.80 PTPN1 (0.79) PTPN1ERN1MAOAMAOBALDH1A1
SCHEMBL4010048 0.77 PTPN1 (0.57) PTPN1MAOAMAOBALDH1A1CA12
SCHEMBL1993748 0.74 PTPN1 (0.69) PTPN1MAOAMAOBALDH1A1PTPN2
SCHEMBL13978670 0.74 PTPN1 (0.74) PTPN1MAOAMAOBALDH1A1PTPN2
SCHEMBL4008145 0.73 MAOB (0.54) PTPN1MAOAMAOBALDH1A1CA12
SCHEMBL27700646 0.73 PTPN1 (0.65) PTPN1MAOAMAOBALDH1A1CA12
SCHEMBL4013102 0.73 PTPN1 (0.54) PTPN1MAOAMAOBALDH1A1CA12
SCHEMBL11508755 0.73 PTPN1 (0.60) PTPN1MAOAMAOBALDH1A1CA12

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-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 — — WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 — — WO disclosed
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