SCHEMBL9027093

SCHEMBL9027093

COc1ccc(Cl)cc1C(N)c1cc2cccc(Cl)c2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
ACHE P22303 1/20 0.36
S1PR4 O95977 3/20 0.36
S1PR2 O95136 2/20 0.36
S1PR3 Q99500 2/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
LPAR1 Q92633 3/20 0.36
RXFP1 Q9HBX9 2/20 0.35
HPGD P15428 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
S1PR5 Q9H228 2/20 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
SCHEMBL9026692 0.89 ADORA3 (0.44) LMNARECQLS1PR4S1PR2S1PR3
SCHEMBL9025756 0.85 NPC1 (0.44) KMT2AALDH1A1RXFP1HPGDMEN1
SCHEMBL9025551 0.82 KDM4E (0.43) LMNAKMT2AALDH1A1LPAR1RXFP1
SCHEMBL9024526 0.81 ALDH1A1 (0.33) LMNARECQLS1PR3KMT2AALDH1A1
SCHEMBL9025806 0.80 MAPT (0.39) LMNAKMT2AALDH1A1LPAR1RXFP1
SCHEMBL9027103 0.76 ACHE (0.35) ACHES1PR4S1PR2S1PR3KMT2A
SCHEMBL9025274 0.75 SLC6A2 (0.36) ACHES1PR3KMT2AALDH1A1HPGD
SCHEMBL9025673 0.74 KMT2A (0.39) KMT2AALDH1A1HPGDCA1CA2
SCHEMBL9025817 0.72 LPAR1 (0.36) LMNAACHEKMT2AALDH1A1LPAR1
SCHEMBL9026962 0.72 LPAR1 (0.37) S1PR3ALDH1A1LPAR1HPGDCA1

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