SCHEMBL10791103

SCHEMBL10791103

O=C(Nc1nnn[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.67
KMT2A Q03164 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 2/20 0.59
MCL1 Q07820 1/20 0.59
HTT P42858 1/20 0.58
LMNA P02545 2/20 0.57
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
VCAM1 P19320 1/20 0.52

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
SCHEMBL12892214 0.90 ALPL (0.55) ALPLKMT2ASMN1; SMN2MAPTMCL1
SCHEMBL15212571 0.85 ALPL (0.50) ALPLKMT2ASMN1; SMN2MAPTMCL1
SCHEMBL10792479 0.80 KDM4E (0.46) ALPLKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL10879548 0.78 KMT2A (0.58) KMT2ASMN1; SMN2MAPTHTTLMNA
SCHEMBL8533619 0.78 KMT2A (0.60) KMT2ASMN1; SMN2MAPTLMNAMEN1
SCHEMBL16326383 0.77 RAB9A (0.54) KMT2ASMN1; SMN2MAPTLMNAMEN1
SCHEMBL12892192 0.77 KDM4E (0.46) ALPLKMT2ASMN1; SMN2HTTKDM4E
SCHEMBL12892208 0.77 ALOX5 (0.51) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL10788839 0.76 CYP2C9 (0.46) KMT2ASMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL10647360 0.74 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2HTTMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135032-B1 CARBAMATES AND OXALYL AMIDES OF AMINO-N-(1H-TETRAZOL-5-YL) BENZAMIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-09-30 EP disclosed
US-4526979-A Carbamates and oxalamides of amino-N-(1H-tetrazol-5-yl)benzamides MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-02 US disclosed
EP-0135032-A1 Carbamates and oxalyl amides of amino-N-(1H-tetrazol-5-yl) benzamides MERRELL DOW PHARMACEUTICALS INC. (US) 1985-03-27 EP disclosed