SCHEMBL5592041

SCHEMBL5592041

O=C(c1ccncc1)c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TDP1 Q9NUW8 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPK7 Q13164 1/20 0.53
MAPK14 Q16539 1/20 0.53
PARP1 P09874 1/20 0.53
GRM5 P41594 1/20 0.52
PKM P14618 1/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LTA4H P09960 1/20 0.48
VNN1 O95497 1/20 0.48
MAPT P10636 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
SCHEMBL3445668 0.86 PARP1 (0.63) TDP1PARP1ATML3MBTL1ALOX15
SCHEMBL3173817 0.86 PARP1 (0.68) TDP1PARP1ATML3MBTL1ALOX15
SCHEMBL31514279 0.84 ATM (0.71) TDP1PARP1ATML3MBTL1ALOX15
SCHEMBL1133114 0.84 ATM (0.71) TDP1PARP1ATML3MBTL1ALOX15
SCHEMBL3444927 0.84 PARP1 (0.65) TDP1PARP1ATML3MBTL1ALOX15
SCHEMBL3177794 0.82 PARP1 (0.59) TDP1PARP1ATML3MBTL1ALOX15
Ammonia Solution, Strong SCHEMBL28227232 0.82 ATM (0.68) TDP1PARP1ATML3MBTL1ALOX15
SCHEMBL15646031 0.82 PKM (0.64) MEN1KMT2ASMN1; SMN2GRM5PKM
SCHEMBL7488057 0.79 MAPK1 (0.64) MEN1KMT2ATDP1SMN1; SMN2PARP1
SCHEMBL8437706 0.79 SRD5A2 (0.64) TDP1PARP1ATML3MBTL1ALOX15

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-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 WO disclosed