SCHEMBL9624729

SCHEMBL9624729

Cc1cc2c(cc1C)C(=O)N(CCCN(C)CCc1scnc1C)C2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.32
MAPT P10636 2/20 0.32
HCN4 Q9Y3Q4 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 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
SCHEMBL9624502 0.88 HCN4 (0.43) MEN1KMT2AMAPTHCN4CYP3A4
SCHEMBL9624374 0.87 ALDH1A1 (0.35) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL9624203 0.78 CYP2C9 (0.35) KDM4EALDH1A1CYP2C9CYP2C19HDAC6
SCHEMBL9625527 0.78 L3MBTL1 (0.38) ALDH1A1LMNAHDAC6MAPTHCN4
SCHEMBL9624913 0.77 MAPT (0.35) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL9624372 0.77 TERT (0.46) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9624431 0.77 HDAC6 (0.33) KDM4EALDH1A1HDAC6MAPTHCN4
SCHEMBL9624873 0.77 HDAC6 (0.35) KDM4EMEN1ALDH1A1KMT2AHDAC6
SCHEMBL10400967 0.77 KDM4E (0.34) KDM4EALDH1A1LMNACYP2D6CYP2C19
SCHEMBL9624933 0.76 HDAC6 (0.38) KDM4EALDH1A1HDAC6MAPTHCN4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US disclosed
EP-0269968-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-06-08 EP disclosed