SCHEMBL3245591

SCHEMBL3245591

CC1=C(C(=O)O)C(c2sccc2Br)n2nnnc2N1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.64
POLB P06746 1/20 0.59
HPGD P15428 4/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 4/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.41

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
SCHEMBL4260348 0.86 LMNA (0.63) ALDH1A1POLBHPGDHTTMEN1
SCHEMBL3001105 0.83 ALDH1A1 (0.64) ALDH1A1POLBHPGDHTTKMT2A
SCHEMBL3263087 0.75 ALDH1A1 (0.48) ALDH1A1POLBHPGDHTTKMT2A
SCHEMBL3007234 0.73 ALDH1A1 (0.56) ALDH1A1POLBHPGDHTTMEN1
SCHEMBL3250826 0.72 ALDH1A1 (0.58) ALDH1A1POLBHTTKMT2ALMNA
SCHEMBL15455520 0.71 ALDH1A1 (0.53) ALDH1A1POLBHPGDHTTLMNA
SCHEMBL4259642 0.71 ALDH1A1 (0.64) ALDH1A1POLBHPGDHTTKMT2A
SCHEMBL3004347 0.70 ALDH1A1 (0.63) ALDH1A1POLBHPGDHTTKMT2A
SCHEMBL3263970 0.68 ALDH1A1 (0.51) ALDH1A1POLBHPGDHTTKMT2A
SCHEMBL2999694 0.68 ALDH1A1 (0.59) ALDH1A1POLBHPGDHTTKMT2A

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-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed