SCHEMBL9025844

SCHEMBL9025844

CN=C(N)N(c1cc(-c2ccc(Cl)cc2)ccc1OC)c1occ2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.35
SHMT2 P34897 1/20 0.32
MAPT P10636 1/20 0.31
C5AR1 P21730 1/20 0.31
SLC9A1 P19634 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 2/20 0.31
METAP2 P50579 1/20 0.31
PTGES O14684 1/20 0.31
DHPS P49366 1/20 0.31
ABCG2 Q9UNQ0 2/20 0.31
ABCB1 P08183 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DHODH Q02127 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9026248 0.92 TSHR (0.39) ACLYMAPTSLC9A1MEN1KMT2A
SCHEMBL9026841 0.92 SHMT2 (0.37) SHMT2SLC9A1MEN1KMT2ANPC1
SCHEMBL9026086 0.91 ALDH1A1 (0.37) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL9026385 0.90 CRHR1 (0.35) ACLYSHMT2SLC9A1MEN1KMT2A
SCHEMBL9026448 0.89 KMT2A (0.39) MAPTMEN1KMT2ANPC1ALDH1A1
Water SCHEMBL9026100 0.89 MAPT (0.33) ACLYMAPTMEN1KMT2AMAPK1
Water SCHEMBL9026104 0.89 MAPT (0.33) ACLYMAPTMEN1KMT2AMAPK1
SCHEMBL9026411 0.85 ALDH1A1 (0.43) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL9025652 0.85 TSHR (0.41) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL9024884 0.84 KDM4E (0.32) SLC9A1KMT2AALDH1A1LMNATSHR

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