SCHEMBL9026539

SCHEMBL9026539

CN=C(N)N(c1cc2ccccc2o1)c1cc(Cl)ccc1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
KMT2A Q03164 4/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
ALOX5 P09917 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAP2 P11137 1/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL9026642 0.89 KMT2A (0.39) SLC9A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL9026431 0.87 POLB (0.37) SLC9A1MAPTTP53HPGDLMNA
SCHEMBL9025868 0.84 HPGD (0.38) MAPTSMN1; SMN2TP53HPGDLMNA
SCHEMBL9025850 0.82 RAB9A (0.37) SLC9A1MAPTSMN1; SMN2TP53HPGD
SCHEMBL9025574 0.81 CCR2 (0.42) MAPTSMN1; SMN2TP53HPGDLMNA
SCHEMBL9026261 0.80 TSHR (0.39) SLC9A1MAPTSMN1; SMN2TP53HPGD
SCHEMBL9026398 0.80 KDM4E (0.39) SLC9A1MAPTSMN1; SMN2TP53HPGD
SCHEMBL9026534 0.78 SLC9A1 (0.35) SLC9A1MAPTIRAK4KMT2AMEN1
SCHEMBL9025661 0.78 TSHR (0.46) MAPTSMN1; SMN2TP53HPGDTSHR
SCHEMBL9026419 0.78 HPGD (0.48) MAPTSMN1; SMN2HPGDLMNATSHR

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