SCHEMBL3250694

SCHEMBL3250694

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NCC4CN(C(c5ccccc5)c5ccccc5)C4)cc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.45
POLB P06746 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP9X Q93008 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
PTPN11 Q06124 2/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PARG Q86W56 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35

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
SCHEMBL3250055 0.85 POLB (0.43) PARP1POLBMEN1KMT2ACYP1A2
SCHEMBL3245352 0.82 HTR2C (0.42) PARP1POLBMEN1KMT2ACYP1A2
SCHEMBL3250699 0.81 KDM4E (0.39) PARP1POLBMEN1KMT2AHSD17B10
SCHEMBL3248398 0.81 POLB (0.40) PARP1POLBMEN1KMT2ACYP1A2
SCHEMBL4153191 0.76 ACACB (0.42) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3254470 0.76 PKM (0.53) PARP1POLBTDP1MAPTTP53
SCHEMBL3243012 0.75 PARG (0.56) POLBMEN1KMT2AHSD17B10LMNA
SCHEMBL3245344 0.75 PTPN11 (0.54) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3247192 0.75 PTPN11 (0.56) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3252130 0.75 TAS2R14 (0.50) PARP1POLBMEN1KMT2ACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed