SCHEMBL9032013

SCHEMBL9032013

COc1ccc(-c2ccncc2)cc1N(C)c1occ2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 1/20 0.35
CYP17A1 P05093 1/20 0.35
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
USP2 O75604 2/20 0.34
LMNA P02545 2/20 0.34
GAK O14976 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL9026327 0.88 CYP11B2 (0.47) MAPTSMN1; SMN2NPC1TLR8TLR7
SCHEMBL9025511 0.84 KDM4E (0.38) MAPTSMN1; SMN2NPC1ABCB1ABCG2
SCHEMBL9025513 0.81 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHPGDTP53
SCHEMBL9026853 0.81 GAA (0.45) MAPTSMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL9026004 0.80 NQO1 (0.37) MAPTALDH1A1GAATSHRNQO1
SCHEMBL9025087 0.80 ALDH1A1 (0.39) MAPTSMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL9024891 0.80 NQO1 (0.37) MAPTSMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL9216015 0.80 NQO1 (0.37) MAPTALDH1A1GAATSHRPDGFRB
SCHEMBL9025560 0.80 METAP2 (0.40) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL9026462 0.77 LTA4H (0.40) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD

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-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed