SCHEMBL8538472

SCHEMBL8538472

O=C(Oc1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.44
LDHA P00338 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MGLL Q99685 1/20 0.39
CHRNA7 P36544 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL26343991 0.83 ELANE (0.53) ELANEMAPTMEN1KMT2A
SCHEMBL2651602 0.81 ELANE (0.45) ELANEKMT2AALDH1A1CES2CES1
SCHEMBL27746984 0.79 ELANE (0.48) ELANELMNAALDH1A1CES2CES1
SCHEMBL326469 0.79 ELANE (0.44) ELANEKIF11
SCHEMBL11227350 0.79 ELANE (0.44) ELANELDHAMAPTMEN1LMNA
SCHEMBL10738024 0.79 ELANE (0.56) ELANEMAPTMEN1KMT2A
SCHEMBL9872338 0.79 LMNA (0.57) ELANEMEN1LMNAKMT2ANPSR1
SCHEMBL6024356 0.79 ELANE (0.70) ELANELDHAMAPTMEN1LMNA
SCHEMBL1255890 0.78 ELANE (0.47) ELANEMAPTALDH1A1L3MBTL1CES1
SCHEMBL15499305 0.78 KMT2A (0.49) ELANEMAPTMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5730904-A Partially fluroinated benzene derivatives, and liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
EP-0002906-B1 NOVEL PERIMIDINES, THEIR PREPARATION, FORMULATIONS AND USE AS IMMUNOSUPPRESSIVES ELI LILLY AND COMPANY (US) 1982-04-14 EP disclosed
US-4294964-A IMMUNOSUPRESSIVE AGENTS ELI LILLY AND COMPANY (US) 1981-10-13 US disclosed
US-4224326-A 2-ARYL-1H-PERIMIDINES ELI LILLY AND COMPANY (US) 1980-09-23 US disclosed
EP-0002906-A2 Novel perimidines, their preparation, formulations and use as immunosuppressives ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed