SCHEMBL9325161

SCHEMBL9325161

O=C(N/C(=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
BRAF P15056 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CYP1B1 Q16678 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9325166 1.00 RAB9A (0.53) RAB9ANPC1BRAFMAPTGAA
SCHEMBL7062015 0.81 RAB9A (0.57) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL29282943 0.78 NR1H4 (0.54) RAB9ANPC1BRAFMAPTSMN1; SMN2
SCHEMBL523154 0.76 KMT2A (0.67) RAB9ANPC1MAPTCRHBPCRHR2
SCHEMBL87044 0.75 POLB (0.61) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL10584067 0.74 CYP1B1 (0.52) RAB9ANPC1MAPTCYP1B1MEN1
SCHEMBL9179899 0.74 NPC1 (0.49) RAB9ANPC1BRAFMAPTSMN1; SMN2
SCHEMBL6966891 0.74 PLAU (0.59) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL29566162 0.73 KMT2A (0.65) RAB9ANPC1MAPTSMN1; SMN2TAAR1
SCHEMBL4656414 0.73 SLC6A2 (0.53) RAB9ANPC1SMN1; SMN2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326762-A Heterocyclic substituted amides SCHERING CORPORATION (US) 1994-07-05 US disclosed
US-5149709-A Treatment of atherosclerosis SCHERING CORPORATION (US) 1992-09-22 US disclosed