SCHEMBL9823664

SCHEMBL9823664

C=CCCC(C(O)C(C)(C)Cc1ccc(F)c(Br)c1)n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.38
CYP19A1 P11511 7/20 0.35
PDE2A O00408 1/20 0.32
EGFR P00533 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL10769481 0.74 KMT2A (0.52) MEN1KMT2ATDP1POLBHSP90AA1
SCHEMBL9390510 0.72 MEN1 (0.63) MEN1KMT2ATDP1CYP19A1POLB
SCHEMBL10768910 0.71 KMT2A (0.47) MEN1KMT2ATDP1CYP19A1POLB
SCHEMBL9270006 0.70 KMT2A (0.49) MEN1KMT2ATDP1CYP19A1POLB
SCHEMBL10333856 0.70 MEN1 (0.45) MEN1KMT2ATDP1EGFRPOLB
SCHEMBL9272801 0.69 MEN1 (0.47) MEN1KMT2ATDP1CYP19A1POLB
SCHEMBL9823627 0.69 MEN1 (0.68) MEN1KMT2ATDP1CYP19A1POLB
SCHEMBL10767967 0.68 MEN1 (0.49) MEN1KMT2ATDP1CYP19A1POLB
SCHEMBL10767970 0.68 MEN1 (0.49) MEN1KMT2ATDP1CYP19A1POLB
SCHEMBL10734466 0.66 KMT2A (0.78) MEN1KMT2ATDP1CYP19A1POLB

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-0301393-B1 1,4-DISUBSTITUTED 1-AZOLYL-3,3-DYMETHYLBUTANE DERIVATIVES BAYER AG (DE) 1991-08-14 EP disclosed
US-4968712-A PHYTOPATHOGENS, AGRICULTURE BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
EP-0301393-A1 1,4-Disubstituted 1-azolyl-3,3-dymethylbutane derivatives BAYER AG (DE) 1989-02-01 EP disclosed