SCHEMBL20247014

SCHEMBL20247014

N=CN(N)c1cc([N+](=O)[O-])cc(F)c1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20246927 0.82 ALDH1A1 (0.30) ALDH1A1KMT2A
SCHEMBL20246981 0.82 HSP90AA1 (0.35)
SCHEMBL431632 0.74 GPR35 (0.41) ALDH1A1KMT2A
SCHEMBL20246925 0.74 ATM (0.33) ALDH1A1
SCHEMBL1946039 0.66 ALDH1A1 (0.33) ALDH1A1KMT2A
SCHEMBL2548910 0.62 CYP19A1 (0.50) ALDH1A1KMT2A
SCHEMBL15556071 0.62 ALDH1A1 (0.57) ALDH1A1KMT2A
SCHEMBL25886876 0.61 HSP90AA1 (0.51) ALDH1A1KMT2A
SCHEMBL22890476 0.60 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2785910 0.60 ALDH1A1 (0.56) ALDH1A1KMT2A

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-2595982-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-06-13 EP disclosed