SCHEMBL7062015

SCHEMBL7062015

N=C(NC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL10942377 0.84 LMNA (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5845871 0.84 NR4A1 (0.51) RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7450597 0.82 CTRB1 (0.49) RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6655085 0.81 PLAU (0.49) RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8363489 0.81 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL7442011 0.81 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL9325161 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL9325166 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL7276193 0.80 LMNA (0.55) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL8407251 0.80 SRD5A2 (0.48) SMN1; SMN2KMT2A

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-1102746-B1 SUBSTITUTED PHENYLAMIDINES WITH ANTITHROMBOTIC ACTION BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-14 EP disclosed
EP-1102746-A1 SUBSTITUTED PHENYLAMIDINES WITH ANTITHROMBOTIC ACTION BOEHRINGER INGELHEIM KG (DE) 2001-05-30 EP disclosed
WO-2000005207-A1 SUBSTITUTED PHENYLAMIDINES WITH ANTITHROMBOTIC ACTION BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-02-03 WO disclosed