SCHEMBL19687499

SCHEMBL19687499

Cc1cc(C2(C)CC2)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 1/20 0.37
KCNN3 Q9UGI6 1/20 0.37
IDH1 O75874 12/20 0.36
IDH2 P48735 3/20 0.36
PIM1 P11309 1/20 0.31
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
CCNT1 O60563 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
SCHEMBL19686732 0.87 KCNN3 (0.47) KCNN2KCNN3IDH1IDH2
SCHEMBL19686291 0.78 IDH1 (0.41) KCNN2KCNN3IDH1IDH2PIM1
SCHEMBL19686284 0.76 KCNN2 (0.49) KCNN2KCNN3IDH1IDH2
SCHEMBL18748587 0.75 IDH1 (0.49) IDH1IDH2CCNT1
SCHEMBL19686887 0.75 KCNN2 (0.48) KCNN2KCNN3IDH1
SCHEMBL19687485 0.74 IDH1 (0.42) KCNN2KCNN3IDH1IDH2CCNT1
SCHEMBL19686941 0.72 KCNN2 (0.46) KCNN2KCNN3IDH1
SCHEMBL21165991 0.72 KCNN2 (0.46) KCNN2KCNN3IDH1
SCHEMBL19687319 0.72 KCNN2 (0.46) KCNN2KCNN3IDH1
SCHEMBL31127312 0.72 KCNN2 (0.46) KCNN2KCNN3IDH1

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