SCHEMBL6736519

SCHEMBL6736519

COc1c(F)cc(F)c(Br)c1F.[MgH2]

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.40
▸ CA4 P22748 5/20 0.40
▸ TUBB1 Q9H4B7 1/20 0.32
▸ ACLY P53396 1/20 0.32
▸ KDM1A O60341 2/20 0.31
▸ KDM1B Q8NB78 1/20 0.31
▸ CA1 P00915 4/20 0.31
▸ CA6 P23280 4/20 0.31
▸ MEP1B Q16820 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ PDGFRA P16234 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
SCHEMBL22883762 0.81 TDP1 (0.36) CA2CA4TUBB1PDGFRBPDGFRA
SCHEMBL31248689 0.79 CA2 (0.38) CA2CA4
SCHEMBL6739577 0.77 TUBB1 (0.35) TUBB1PDGFRBPDGFRA
SCHEMBL5208683 0.76 CA2 (0.41) CA2CA4TUBB1ACLYCA1
SCHEMBL31523571 0.75 CA2 (0.34) CA2CA4
SCHEMBL27929289 0.74 HSD17B10 (0.49) TUBB1MEP1BPTPN1
SCHEMBL12093633 0.73 CYP19A1 (0.36) TUBB1ACLYPDGFRBPDGFRA
SCHEMBL29387130 0.72 KDM1A (0.37) CA2CA4KDM1AKDM1BCA1
SCHEMBL27628234 0.72 CA2 (0.39) CA2CA4TUBB1ACLYCA1
SCHEMBL28031715 0.72 SOS1 (0.42) CA2TUBB1CA1MEP1BPTPN1

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-6683218-B1 REACTING AN ARYL FLUORIDE WITH HALOGENATED HYDROCARBON AND MAGNESIUM; METALLIZATION, BORATING; DISTILLING OUT DIETHYL ETHER OR TETRAHYDROFURAN SOLVENT NIPPON SHOKUBAI CO., LTD. (JP) 2004-01-27 — — US disclosed
EP-0825195-B1 PRODUCING PROCESS OF FLUOROARYL MAGNESIUM DERIVATIVE AND PRODUCING PROCESS OF (FLUOROARYL)BORANE COMPOUND NIPPON CATALYTIC CHEM IND (JP) 2003-11-12 — — EP disclosed
US-6057480-A Process for preparing fluoroaryl magnesium derivative and process for preparing (fluoroaryl) borane compound NIPPON SHOKUBAI CO., LTD. (JP) 2000-05-02 — — US disclosed
EP-0838466-A2 Producing process of (fluoroaryl) borane compound and producing process of tetrakis (fluoroaryl) borate derivative NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-29 — — EP disclosed
EP-0825195-A1 PROCESS FOR THE PREPARATION OF FLUORINATED ARYLMAGNESIUM DERIVATIVES AND PROCESS FOR THE PREPARATION OF (FLUORINATED ARYL)BORON COMPOUNDS NIPPON SHOKUBAI CO., LTD. (JP) 1998-02-25 — — EP disclosed
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