SCHEMBL9415949

SCHEMBL9415949

CCCCCCCCCCCCCCCCNC(CN)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.60
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CSNK1E P49674 1/20 0.47

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
Hydrochloric Acid SCHEMBL6850885 0.89 SIGMAR1 (0.65) SIGMAR1MEN1KMT2ACSNK1E
Bromide SCHEMBL5450419 0.89 SIGMAR1 (0.65) SIGMAR1MEN1KMT2ACSNK1E
SCHEMBL10438232 0.87 SIGMAR1 (0.61) SIGMAR1
SCHEMBL21175470 0.86 SIGMAR1 (0.70) SIGMAR1MEN1KMT2ACSNK1E
SCHEMBL28664528 0.83 SIGMAR1 (0.50) SIGMAR1
Hydrochloric Acid SCHEMBL5616415 0.83 SIGMAR1 (0.58) SIGMAR1MEN1KMT2ACSNK1E
SCHEMBL25590992 0.82 SIGMAR1 (0.57) SIGMAR1MEN1KMT2A
SCHEMBL8525894 0.80 SIGMAR1 (0.58) SIGMAR1
SCHEMBL4672917 0.80 SIGMAR1 (0.58) SIGMAR1
SCHEMBL29022562 0.77 SIGMAR1 (0.59) SIGMAR1MEN1KMT2ACSNK1E

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-0599265-A1 Antibacterial, antifungal compound and its production method Takeda Chemical Industries, Ltd. (JP) 1994-06-01 EP disclosed