SCHEMBL7931856

SCHEMBL7931856

COCOc1cccc(C=CI)c1-c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 2/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ GRK5 P34947 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAP2K2 P36507 1/20 0.36

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
SCHEMBL7931850 1.00 NFE2L2 (0.37) NFE2L2CHEK1AURKADAPK3JAK2
SCHEMBL7935210 0.83 SMN1; SMN2 (0.40) NFE2L2CHEK1AURKADAPK3JAK2
SCHEMBL7932759 0.78 SYK (0.37) NFE2L2CHEK1AURKADAPK3JAK2
SCHEMBL7932764 0.78 SYK (0.37) NFE2L2CHEK1AURKADAPK3JAK2
SCHEMBL7935546 0.76 NFE2L2 (0.33) NFE2L2KMT2AALDH1A1POLBMEN1
SCHEMBL7935542 0.76 NFE2L2 (0.33) NFE2L2KMT2AALDH1A1POLBMEN1
SCHEMBL1683989 0.75 RARB (0.45) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL8177006 0.75 EGFR (0.39) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL8180319 0.73 CHEK1 (0.36) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL7929345 0.70 FYN (0.39) FYNBACE1KMT2ALMNAMAPT

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-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 — — EP disclosed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 — — US disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 — — EP disclosed
Send feedback