SCHEMBL14623786

SCHEMBL14623786

Cc1c[nH]c2c(=O)[nH]c3ccc([N+](=O)[O-])cc3c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
LMNA P02545 2/20 0.65
PARP1 P09874 2/20 0.53
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
PTGS2 P35354 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 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
SCHEMBL3249939 0.81 MEN1 (0.51) MAPTLMNAPARP1CA12CA9
SCHEMBL14624379 0.80 CHEK1 (0.51) MAPTLMNAPARP1MEN1KMT2A
SCHEMBL3249435 0.80 MAPT (0.47) MAPTLMNAPARP1MEN1KMT2A
SCHEMBL15202149 0.79 MAPT (1.00) MAPTLMNAPARP1CA12CA9
SCHEMBL3250627 0.78 MAPT (0.46) MAPTLMNAPARP1CA12CA9
SCHEMBL14623778 0.78 PARP1 (0.49) MAPTLMNAPARP1CA12CA9
SCHEMBL14623074 0.78 LMNA (0.49) MAPTLMNAPARP1MEN1KMT2A
SCHEMBL2545374 0.78 CHEK1 (0.49) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL7251641 0.77 PARP1 (0.66) MAPTLMNAPARP1CA12CA9
SCHEMBL4161885 0.77 PARP1 (0.45) MAPTLMNAPARP1CA12CA9

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-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed