SCHEMBL9026699

SCHEMBL9026699

CN=C(N)N(c1cc2ccccc2o1)c1cnccc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
NAMPT P43490 1/20 0.34
IMPDH2 P12268 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL9026798 0.85 KDM4E (0.39) RAB9AMEN1KMT2ACYP19A1KDM4E
SCHEMBL9026419 0.83 HPGD (0.48) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL9025661 0.83 TSHR (0.46) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL9026139 0.82 RAB9A (0.39) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL9024890 0.82 RAB9A (0.39) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL9026642 0.82 KMT2A (0.39) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL9025010 0.79 TSHR (0.39) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL9026095 0.79 HPGD (0.43) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL9025850 0.78 RAB9A (0.37) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL9025546 0.78 TSHR (0.39) RAB9AMEN1KMT2AKDM4EALDH1A1

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