SCHEMBL9130338

SCHEMBL9130338

O=CNCC(Cc1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
TSHR P16473 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 4/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
ACP3 P15309 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL9852967 0.81 MTNR1A (0.57) SMN1; SMN2HTTCYP2D6ALDH1A1ACP3
SCHEMBL5312101 0.80 TSHR (0.50) SMN1; SMN2HTTL3MBTL1TSHRCYP2D6
SCHEMBL4879511 0.75 POLB (0.58) TSHRCYP2D6CYP2C9CYP2C19CYP1A2
Formamide SCHEMBL8868988 0.74 SMN1; SMN2 (0.49) SMN1; SMN2HTTL3MBTL1OPRM1OPRK1
SCHEMBL7006614 0.74 TSHR (0.53) SMN1; SMN2HTTL3MBTL1TSHRCYP2D6
Ammonia Solution, Strong SCHEMBL8867125 0.73 CYP2D6 (0.52) SMN1; SMN2HTTL3MBTL1OPRM1OPRK1
SCHEMBL13801233 0.73 TSHR (0.54) SMN1; SMN2L3MBTL1TSHRALDH1A1POLB
SCHEMBL11509158 0.72 KMT2A (0.58) SMN1; SMN2OPRM1OPRK1TSHRCYP2D6
SCHEMBL30482083 0.70 TSHR (0.59) SMN1; SMN2TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL1039984 0.70 TSHR (0.59) SMN1; SMN2TSHRCYP2D6CYP2C9CYP2C19

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-5430044-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (GB) 1995-07-04 US disclosed
US-5331007-A Arylalkyl-amines and -amides having anticonvulsant and neuroprotective properties FISONS CORPORATION (US) 1994-07-19 US disclosed