SCHEMBL1126790

SCHEMBL1126790

COCCc1[nH]c(C)c(F)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
REN P00797 5/20 0.33
AKT2 P31751 2/20 0.33
CHEK1 O14757 1/20 0.33
PDGFRA P16234 1/20 0.33
MAPK8 P45983 1/20 0.33
CDK5 Q00535 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HPGD P15428 1/20 0.32
MDM2 Q00987 1/20 0.32
KMT2A Q03164 1/20 0.32
TYMP P19971 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL11470743 0.71 POLB (0.44) LMNAALDH1A1RAB9AHPGDTP53
SCHEMBL2374537 0.67 AKT2 (0.37) LMNAALDH1A1RENAKT2CHEK1
SCHEMBL4606866 0.64 ESR1 (0.55) ALDH1A1HPGDKMT2A
SCHEMBL2376564 0.64 AKT1 (0.51) LMNAAKT2KMT2A
SCHEMBL9458893 0.62 HSD17B10 (0.47) LMNAALDH1A1PDGFRAMAPK8CDK5
SCHEMBL1127247 0.62 HTT (0.48) ALDH1A1AKT2CHEK1CDK5HPGD
SCHEMBL11103639 0.62 KCNH2 (0.48) LMNA
Biphenyl SCHEMBL4856272 0.61 ALDH1A1 (0.50) LMNAALDH1A1PDE4BHPGDCA2
SCHEMBL26907879 0.61 MMP12 (0.38) LMNAKMT2A
SCHEMBL28025320 0.60 ADRB2 (0.39) LMNAALDH1A1CHEK1CDK5HPGD

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed