SCHEMBL7991738

SCHEMBL7991738

O=C(O)/C(=N\O)C(=O)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.50
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
PLOD1 Q02809 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MPO P05164 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL7991741 1.00 NAPRT (0.50) NAPRTKMT2AMEN1ALDH1A1LMNA
SCHEMBL10502087 0.82 NAPRT (0.43) NAPRTKMT2AMEN1ALDH1A1LMNA
SCHEMBL10502094 0.82 NAPRT (0.43) NAPRTKMT2AMEN1ALDH1A1LMNA
SCHEMBL25324982 0.81 CES2 (0.56) NAPRTALDH1A1LMNAMAPTNPSR1
SCHEMBL9331128 0.81 CES2 (0.56) NAPRTALDH1A1LMNAMAPTNPSR1
Methane SCHEMBL9572458 0.79 CES2 (0.54) NAPRTALDH1A1LMNAMAPTNPSR1
SCHEMBL6998034 0.78 NAPRT (0.64) NAPRTKMT2AMEN1ALDH1A1LMNA
SCHEMBL10501561 0.78 CES2 (0.43) NAPRTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7989661 0.78 ALDH1A1 (0.56) KMT2AALDH1A1LMNAMAPTCYP1A2
SCHEMBL10501556 0.78 CES2 (0.43) NAPRTKMT2AMEN1ALDH1A1LMNA

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed