SCHEMBL3853417

SCHEMBL3853417

Cn1c(C(=O)O)c(N)c2cncc(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.33
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31
GPR35 Q9HC97 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
HASPIN Q8TF76 1/20 0.31
CDK19 Q9BWU1 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
DDO Q99489 1/20 0.31
CYP3A4 P08684 1/20 0.31
PDE4D Q08499 1/20 0.30
PRMT5 O14744 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
SCHEMBL3843835 0.82 GPR35 (0.31) GPR35KDM4ELMNAHCAR2MEN1
SCHEMBL535543 0.64 HAVCR2 (0.47) HAVCR2ICAM1SELEVCAM1KDM4E
SCHEMBL28064659 0.62 MCL1 (0.50) HAVCR2GPR35KDM4ELMNAMEN1
SCHEMBL8692545 0.62 GPR35 (0.42) GPR35TSHR
SCHEMBL2662567 0.62 EGFR (0.54) KDM4EMEN1ALDH1A1KMT2ATSHR
SCHEMBL1431321 0.60 HTT (0.53) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL3667385 0.60 ALDH1A1 (0.42) HAVCR2ICAM1SELEVCAM1KDM4E
SCHEMBL111872 0.60 HCAR2 (0.46) ICAM1SELEVCAM1KDM4ELMNA
SCHEMBL28341246 0.59 KDM4E (0.42) KDM4ELMNACDK8MEN1ALDH1A1
Fluoroacetate SCHEMBL28805798 0.59 P2RX7 (0.35) HAVCR2ICAM1SELEVCAM1KDM4E

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-2099796-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-09-16 EP disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 WO disclosed