SCHEMBL9026013

SCHEMBL9026013

Cc1ccc(C(N)c2occ3ccccc23)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 4/20 0.32
TP53 P04637 3/20 0.32
TSHR P16473 2/20 0.32
THRB P10828 1/20 0.31
BCDIN3D Q7Z5W3 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
KDM4E B2RXH2 1/20 0.30
STING1 Q86WV6 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
SCHEMBL9025606 0.79 MGAM (0.39)
SCHEMBL9219005 0.79 GPR84 (0.36) MEN1KMT2ACYP1A2KDM4E
SCHEMBL9026660 0.76 MAPT (0.35) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL9026002 0.72 NPC1 (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1CYP3A4
SCHEMBL3983731 0.69 SLC6A2 (0.37) CYP3A4TSHRCYP2A6
SCHEMBL9030876 0.68 NPBWR1 (0.34) NPC1RAB9AMEN1PKMKMT2A
SCHEMBL9025465 0.68 CCR2 (0.34) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9025568 0.68 METAP2 (0.39) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL9210152 0.68 GPR84 (0.32) L3MBTL1
SCHEMBL9025431 0.68 MEN1 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1CYP3A4

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