SCHEMBL14624976

SCHEMBL14624976

CNCCNC(=O)c1c[nH]c2c(=O)[nH]c3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL3245362 0.86 PARP1 (0.50) RAB9APOLBUSP2KDM4EALDH1A1
SCHEMBL3250282 0.86 ADAM17 (0.46) RAB9APOLBUSP2KDM4EALDH1A1
SCHEMBL3241767 0.86 ALDH1A1 (0.51) RAB9APOLBUSP2KDM4EALDH1A1
SCHEMBL3249528 0.85 SMN1; SMN2 (0.43) RAB9APOLBUSP2KDM4EALDH1A1
SCHEMBL3245630 0.85 EGFR (0.45) RAB9APOLBKDM4EALDH1A1MEN1
SCHEMBL3248405 0.84 KDM4E (0.54) POLBUSP2KDM4EALDH1A1MEN1
SCHEMBL4153802 0.84 PPARG (0.47) RAB9APOLBUSP2KDM4EALDH1A1
SCHEMBL14624983 0.84 ALDH1A1 (0.41) RAB9APOLBUSP2KDM4EALDH1A1
SCHEMBL3252625 0.83 KDM4E (0.58) RAB9APOLBKDM4EALDH1A1MEN1
SCHEMBL3241785 0.83 MEN1 (0.63) RAB9APOLBMEN1KMT2ANPC1

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