SCHEMBL9524409

SCHEMBL9524409

Cc1cc([N+](=O)[O-])ccc1NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
MAPT P10636 6/20 0.60
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HPGD P15428 1/20 0.60
CCR6 P51684 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CRHBP P24387 1/20 0.60
CYP2C19 P33261 1/20 0.60
CRHR2 Q13324 1/20 0.60
CYP19A1 P11511 1/20 0.58
LMNA P02545 4/20 0.55
HTT P42858 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL9524996 0.86 CXCR1 (0.60) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9524084 0.86 LMNA (0.71) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2070549 0.84 MAPT (0.70) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL5224480 0.83 ALDH1A1 (0.65) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2070523 0.81 CYP19A1 (0.76) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2070181 0.81 ALDH1A1 (0.65) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL31261387 0.81 MAPT (0.59) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL1554137 0.80 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL9523344 0.80 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL14648942 0.80 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1MEN1

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-0285000-B1 CHROMOGENE COMPOUNDS, THEIR MANUFACTURE AND USE AS ENZYME SUBSTRATES Roche Diagnostics GmbH (DE) 1993-07-28 EP disclosed
US-5190862-A Peptide modified compound BOEHRINGER MANNHEIM GMBH (DE) 1993-03-02 US disclosed
US-5108890-A Diagnostic agents for determining peptide bond-cleaving enzymes; measuring light absorbed by liberated colored materials BOEHRINGER MANNHEIM GMBH (DE) 1992-04-28 US disclosed