SCHEMBL9026040

SCHEMBL9026040

CCOc1ccc(Cl)cc1C(N)c1occ2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
HTR2A P28223 1/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SCN4A P35499 2/20 0.36
AGPAT2 O15120 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
DHFR P00374 1/20 0.35
MAPT P10636 1/20 0.34
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 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
SCHEMBL9025568 0.88 METAP2 (0.39) SLC6A2SLC6A4MAPTMEN1KMT2A
SCHEMBL9032014 0.86 MAPT (0.36) SLC6A4SCN4AMAPTMEN1KMT2A
SCHEMBL9025431 0.79 MEN1 (0.39) GAATP53TSHRHPGDMAPT
SCHEMBL9025465 0.78 CCR2 (0.34) HPGDALDH1A1
SCHEMBL9026023 0.76 SLC6A4 (0.42) HTR2CHTR2BHTR2AGAATP53
SCHEMBL9037251 0.75 CD274 (0.33) TSHRHPGDMAPT
SCHEMBL9025682 0.75 HTR2C (0.36) HTR2CTSHRDHFRMAPTMEN1
SCHEMBL9025089 0.74 KDM4E (0.41) TP53HPGDMAPTMEN1KMT2A
SCHEMBL9026859 0.74 ADRA2A (0.45) TSHRHPGDMAPTMEN1KMT2A
SCHEMBL9025520 0.74 METAP2 (0.38) GAATSHRHPGDMAPTMEN1

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