SCHEMBL6560894

SCHEMBL6560894

COC(=O)c1c(-c2ccccc2)cn(-c2ccccc2OC)c1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA5 P31644 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44

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
SCHEMBL28032229 0.85 TUBB4A (0.41) LMNATP53GABRA1GABRG2GABRB3
SCHEMBL6560725 0.84 TUBB4A (0.46) LMNATP53TSHRTUBB4ATUBB
SCHEMBL31019062 0.74 FGFR1 (0.57) LMNAGABRA1GABRG2GABRB3GABRA3
SCHEMBL28916053 0.72 HTT (0.46) LMNATP53GABRA1GABRG2GABRB3
SCHEMBL28031656 0.72 HTT (0.43) LMNAGABRA1GABRG2GABRB3GABRA3
SCHEMBL31454232 0.72 FGFR1 (0.41) LMNAGABRA1GABRG2GABRB3GABRA3
SCHEMBL28596059 0.71 MEN1 (0.54) LMNATP53GABRA1GABRG2GABRB3
SCHEMBL28697581 0.71 MEN1 (0.69) LMNAGABRA1GABRG2GABRB3GABRA3
SCHEMBL25307588 0.70 MAPK1 (0.48) LMNATP53TSHRMEN1KMT2A
SCHEMBL28078513 0.70 MEN1 (0.49) LMNAGABRA1GABRG2GABRB3GABRA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071670-B1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-07-07 EP disclosed
US-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed
EP-1071670-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-31 EP disclosed
WO-1999054314-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed