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SCHEMBL19686320

SCHEMBL19686320

Cc1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C3CC3)cc2CCc2cc(NC3CCC(F)(F)CC3)nc(-n3nc(Br)cc3C)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNN2 Q9H2S1 1/20 0.45
▸ KCNN3 Q9UGI6 1/20 0.45
▸ ALOX15 P16050 1/20 0.33
▸ IDH1 O75874 5/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ TP53 P04637 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL19686303 0.86 KCNN3 (0.59) KCNN2KCNN3ALOX15IDH1ALDH1A1
SCHEMBL19686306 0.85 KCNN3 (0.58) KCNN2KCNN3ALOX15IDH1ALDH1A1
SCHEMBL19686804 0.77 KCNN3 (0.73) KCNN2KCNN3ALOX15ALDH1A1POLB
SCHEMBL19686958 0.76 KCNN3 (0.57) KCNN2KCNN3ALOX15IDH1ALDH1A1
SCHEMBL19686803 0.76 KCNN2 (0.57) KCNN2KCNN3ALOX15IDH1ALDH1A1
SCHEMBL19686620 0.76 KCNN3 (0.57) KCNN2KCNN3ALOX15IDH1ALDH1A1
SCHEMBL19686781 0.76 KCNN2 (0.54) KCNN2KCNN3ALOX15IDH1ALDH1A1
SCHEMBL31127058 0.76 KCNN2 (0.54) KCNN2KCNN3ALOX15IDH1ALDH1A1
SCHEMBL19686610 0.75 KCNN3 (0.56) KCNN2KCNN3ALOX15IDH1ALDH1A1
SCHEMBL19686522 0.75 KCNN2 (0.58) KCNN2KCNN3ALOX15IDH1ALDH1A1

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
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 — — WO disclosed