SCHEMBL27645484

SCHEMBL27645484

COC(=O)N(CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.49
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
BMP1 P13497 1/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
CDC25C P30307 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL27617250 0.86 NR1D1 (0.46) MAPTRAB9AALDH1A1POLB
SCHEMBL27645508 0.84 KCNH2 (0.45) KCNH2TSHRSIGMAR1
SCHEMBL27897920 0.83 ATM (0.47) KCNH2MAPTRAB9AALDH1A1KMT2A
SCHEMBL3534499 0.82 KCNH2 (0.53) KCNH2TSHRMAPTRAB9ABMP1
SCHEMBL16682343 0.80 KCNH2 (0.56) KCNH2TSHRMAPTRAB9ABMP1
SCHEMBL992030 0.76 KCNH2 (0.50) KCNH2TSHRMAPTALDH1A1KMT2A
SCHEMBL21461681 0.74 KCNH2 (0.53) KCNH2TSHRMAPTRAB9ABMP1
SCHEMBL16682344 0.74 KCNH2 (0.53) KCNH2TSHRALDH1A1KMT2ACDC25C
SCHEMBL10720687 0.73 ALDH1A1 (0.54) KCNH2TSHRMAPTRAB9AALDH1A1
SCHEMBL19491362 0.73 KCNH2 (0.52) KCNH2TSHRMAPTBMP1ALDH1A1

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
CN-1882586-A 1H-imidazo[4,5-C]quinoline derivatives in the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2006-12-20 CN disclosed