SCHEMBL7927780

SCHEMBL7927780

COCCOC(=O)C(=CBr)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32
CTSB P07858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOTUM Q6P988 2/20 0.31
HPGD P15428 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7933747 0.89 ALDH1A1 (0.33)
SCHEMBL7927781 0.83 NOTUM (0.30) NOTUM
SCHEMBL6697536 0.81 MEN1 (0.44) CTSBTDP1NOTUMHPGDKDM4E
SCHEMBL6908332 0.78 ALDH1A1 (0.39) CTSBTDP1NOTUMHPGDKDM4E
SCHEMBL6699195 0.78 CYP4F2 (0.44) CTSBTDP1NOTUMKDM4E
SCHEMBL9168174 0.77 TDP1 (0.40) P2RX7CTSBTDP1NOTUMHPGD
SCHEMBL29576263 0.77 TDP1 (0.40) P2RX7CTSBTDP1NOTUMHPGD
SCHEMBL1807362 0.77 TDP1 (0.52) CTSBTDP1NOTUMHPGDKDM4E
SCHEMBL9423041 0.77 TDP1 (0.40) P2RX7CTSBTDP1NOTUMHPGD
SCHEMBL9423187 0.77 TDP1 (0.38) P2RX7CTSBTDP1NOTUMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239074-B1 HERBICIDES, INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-05-29 US disclosed