SCHEMBL7038359

SCHEMBL7038359

O=C(NCCn1ccnc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
CYP19A1 P11511 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 1/20 0.60
KMT2A Q03164 2/20 0.59
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
QPCT Q16769 1/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL5257772 0.93 SMN1; SMN2 (0.71) MAPTCYP19A1SMN1; SMN2NPC1KMT2A
SCHEMBL13177000 0.82 SMN1; SMN2 (0.65) MAPTCYP19A1SMN1; SMN2NPC1KMT2A
SCHEMBL12460024 0.82 SMN1; SMN2 (0.65) MAPTCYP19A1SMN1; SMN2NPC1KMT2A
SCHEMBL9999585 0.81 CYP19A1 (0.67) MAPTCYP19A1SMN1; SMN2NPC1KMT2A
SCHEMBL14027226 0.80 TP53 (0.72) CYP19A1SMN1; SMN2NPC1KMT2AMAOA
SCHEMBL21098369 0.80 SMN1; SMN2 (0.89) MAPTCYP19A1SMN1; SMN2NPC1KMT2A
SCHEMBL10852956 0.79 KMT2A (0.69) MAPTCYP19A1SMN1; SMN2NPC1KMT2A
SCHEMBL11621538 0.78 MAPT (0.81) MAPTSMN1; SMN2NPC1KMT2APOLB
SCHEMBL5730977 0.78 CYP19A1 (1.00) CYP19A1KMT2AL3MBTL1
SCHEMBL17550818 0.78 KMT2A (0.71) MAPTCYP19A1SMN1; SMN2NPC1KMT2A

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-1052248-B1 Process for the preparation of aqueous solutions of diazonium salts CLARIANT GMBH (DE) 2003-03-19 EP disclosed
US-6207809-B1 CATALYTIC HYDROGENATION USING THE CORRESPONDING NITRO COMPOUND CLARIANT GMBH (DE) 2001-03-27 US disclosed
EP-1052248-A1 Process for the preparation of aqueous solutions of diazonium salts Clariant GmbH (DE) 2000-11-15 EP disclosed