SCHEMBL7574880

SCHEMBL7574880

Clc1ccc(Cl)c(-c2ccncc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.60
DUSP3 P51452 1/20 0.60
PTPN11 Q06124 1/20 0.60
MAPK1 P28482 1/20 0.47
GCGR P47871 4/20 0.47
MAPK14 Q16539 3/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
HTR2B P41595 1/20 0.46
PDE4D Q08499 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
IDO1 P14902 1/20 0.43
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL11423973 0.83 AHR (0.57) RAB9ADUSP3PTPN11MAPK1GCGR
SCHEMBL2473835 0.81 AHR (0.54) PTPN11HTR2BPDE4DIDO1TP53
SCHEMBL24810004 0.79 GCGR (0.47) RAB9ADUSP3PTPN11MAPK1GCGR
SCHEMBL1423572 0.79 PIM1 (0.53) RAB9ADUSP3PTPN11MAPK1GCGR
SCHEMBL14744471 0.79 IMPDH2 (0.49) RAB9ADUSP3PTPN11MAPK1GCGR
SCHEMBL13986222 0.79 RAB9A (0.50) RAB9ADUSP3PTPN11GCGRMAPK14
SCHEMBL6798083 0.78 RAB9A (0.44) RAB9ADUSP3PTPN11HTR2BPDE4D
SCHEMBL2934398 0.77 CYP2A6 (0.58) RAB9AHTR2BPDE4DTP53MEN1
SCHEMBL7582709 0.76 CYP2A6 (0.53) RAB9AMAPK1ALDH1A1ABL1MAPT
SCHEMBL27722896 0.76 CYP2A6 (0.56) RAB9AHTR2BPDE4DTP53MEN1

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
EP-0773248-B1 Polymers with heterocyclic side groups MISSISSIPPI POLYMER TECHNOLOGI (US) 2002-10-02 EP disclosed
US-5668245-A PHENYLENE POLYMERS WITH HETEROCYCLIC SIDE GROUPS MAXDEM INCORPORATED (US) 1997-09-16 US disclosed
EP-0773248-A1 Polymers with heterocyclic side groups MAXDEM INCORPORATED (US) 1997-05-14 EP disclosed