SCHEMBL9181765

SCHEMBL9181765

N#CCc1ccc(C(c2ccccc2)(c2ccccc2)n2cccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.50
KCNA3 P22001 1/20 0.50
FLT3 P36888 2/20 0.36
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
KMT2A Q03164 2/20 0.33
TNF P01375 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
TSHR P16473 1/20 0.31
PDPK1 O15530 1/20 0.31
ALOX15B O15296 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PIK3CA P42336 1/20 0.30
PIK3CG P48736 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL2392374 0.81 KCNN4 (0.69) KCNN4KCNA3CYP11B1CYP11B2KMT2A
SCHEMBL9182074 0.81 KCNN4 (0.57) KCNN4KCNA3CYP11B1CYP11B2KMT2A
SCHEMBL11199996 0.81 KCNN4 (0.54) KCNN4KCNA3CYP11B1CYP11B2KMT2A
SCHEMBL11204373 0.77 KCNN4 (0.50) KCNN4KCNA3CYP11B1CYP11B2
SCHEMBL9669708 0.76 CYP11B1 (0.67) KCNN4KCNA3FLT3CYP11B1CYP11B2
SCHEMBL2361042 0.75 KCNN4 (0.67) KCNN4KCNA3CYP11B1CYP11B2KMT2A
SCHEMBL2403558 0.75 KCNN4 (0.58) KCNN4KCNA3CYP11B1CYP11B2TSHR
SCHEMBL2391892 0.75 KCNN4 (0.58) KCNN4KCNA3CYP11B1CYP11B2KMT2A
SCHEMBL20772229 0.75 KCNN4 (0.58) KCNN4KCNA3CYP11B1CYP11B2KMT2A
SCHEMBL1750941 0.75 KCNN4 (0.58) KCNN4KCNA3CYP11B1CYP11B2KMT2A

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
EP-0667868-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-23 EP disclosed