SCHEMBL3226619

SCHEMBL3226619

Cc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MTNR1A P48039 2/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RORC P51449 1/20 0.47
RECQL P46063 1/20 0.47
HPGD P15428 1/20 0.46
CDK2 P24941 1/20 0.46
CYP19A1 P11511 1/20 0.45
NPC1 O15118 1/20 0.45
TNF P01375 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
NOD1 Q9Y239 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
SCHEMBL31019158 0.84 AKR1C3 (0.47) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL3237378 0.82 MTNR1A (0.56) MTNR1ASMN1; SMN2NPC1RAB9A
SCHEMBL3232172 0.81 SMN1; SMN2 (0.62) MTNR1AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL3240519 0.81 MTNR1A (0.56) MTNR1ASMN1; SMN2NPC1RAB9A
SCHEMBL3239528 0.81 LMNA (0.47) MAPTHTTMEN1KMT2ALMNA
SCHEMBL7897974 0.81 MEN1 (0.67) MAPTMTNR1AALDH1A1HTTMEN1
SCHEMBL3235212 0.79 MTNR1A (0.54) MTNR1AMEN1KMT2A
SCHEMBL3239535 0.79 RORC (0.46) MAPTMEN1KMT2ALMNARORC
SCHEMBL13844161 0.77 ALDH1A1 (0.54) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL30344965 0.77 KMT2A (0.48) MAPTMTNR1AALDH1A1KDM4EMEN1

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
WO-2010022355-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES PURDUE RESEARCH FOUNDATION (US) 2010-02-25 WO disclosed