SCHEMBL1904366

SCHEMBL1904366

Cc1ccc(-n2c(Br)nc(Cl)c2-c2c(F)cc(C#N)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR9 Q9NR96 1/20 0.35
EGLN2 Q96KS0 2/20 0.34
KDM1A O60341 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP2A6 P11509 1/20 0.32
POLB P06746 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL1900183 0.90 KDM4E (0.35) LMNAMAPTHTTSMN1; SMN2EGLN2
SCHEMBL1905621 0.82 TDP2 (0.38) ALDH1A1LMNAHPGDNPSR1EGLN2
SCHEMBL1076165 0.81 POLB (0.36) EGLN2KDM4EPOLBPIK3CDPIK3CA
SCHEMBL1908385 0.77 EGLN2 (0.34) HPGDEGLN2PIK3CDPIK3CAKCNJ6
SCHEMBL1901532 0.76 GRM5 (0.36) ALDH1A1EGLN2KDM1AKCNJ6KCNJ5
SCHEMBL1905559 0.76 KCNH2 (0.35) MAPTPOLBPIK3CA
SCHEMBL19967260 0.74 HTT (0.41) ALDH1A1LMNAHPGDNPSR1NPC1
SCHEMBL1074648 0.73 BRD4 (0.36) ALDH1A1HPGDNPSR1EGLN2KDM4E
SCHEMBL1900602 0.73 TDP2 (0.42) ALDH1A1LMNAHPGDEGLN2KDM4E
SCHEMBL1075642 0.72 EGLN2 (0.33) ALDH1A1HPGDEGLN2KDM4E

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
WO-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO claimed
WO-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO disclosed