SCHEMBL3872999

SCHEMBL3872999

O=C(c1cc([N+](=O)[O-])ccc1O)n1ncc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR35 Q9HC97 1/20 0.41
ALKBH5 Q6P6C2 4/20 0.40
MAPT P10636 4/20 0.40
FTO Q9C0B1 3/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNMA1 Q12791 1/20 0.40
CREBBP Q92793 1/20 0.40
GLS O94925 1/20 0.40
NPC1 O15118 2/20 0.39
P2RX1 P51575 1/20 0.39

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
SCHEMBL30833789 0.81 CREBBP (0.45) L3MBTL1SMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL15069765 0.80 CREBBP (0.60) SMN1; SMN2ALDH1A1MAPK1MAPTGAA
SCHEMBL27985924 0.76 NPC1 (0.47) L3MBTL1ALDH1A1TP53HPGDMAPT
Methane SCHEMBL27631694 0.76 NPC1 (0.50) ALDH1A1MAPTMEN1KMT2ACREBBP
SCHEMBL8951215 0.74 GLS (0.49) SMN1; SMN2ALDH1A1TP53HPGDTSHR
SCHEMBL30516913 0.73 MAPT (0.45) SMN1; SMN2ALDH1A1MAPTCREBBPGLS
SCHEMBL3610098 0.73 MAPT (0.45) SMN1; SMN2ALDH1A1MAPTCREBBPGLS
SCHEMBL27129636 0.70 L3MBTL1 (0.67) L3MBTL1SMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL427515 0.70 GLS (0.55) L3MBTL1ALDH1A1TSHRMAPTMEN1
SCHEMBL17678004 0.70 GLS (0.48) SMN1; SMN2ALDH1A1TSHRMAPTGAA

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
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP claimed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed