SCHEMBL8490761

SCHEMBL8490761

O=C(O)c1cccc2ccc(CF)nc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.53
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 1/20 0.40
PIM1 P11309 1/20 0.39
ALOX15 P16050 1/20 0.38
CDC25B P30305 1/20 0.38
KEAP1 Q14145 1/20 0.38
CCR1 P32246 1/20 0.37
DHODH Q02127 2/20 0.37
ALB P02768 1/20 0.37

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
SCHEMBL8491580 0.85 CCR1 (0.57) PARP1ALDH1A1LMNAALOX12NR4A1
SCHEMBL8489852 0.83 PARP1 (0.56) PARP1ALDH1A1LMNAALOX12NR4A1
SCHEMBL20845592 0.83 PARP1 (0.74) PARP1ALDH1A1LMNAALOX12NR4A1
SCHEMBL8493517 0.83 PARP1 (0.53) PARP1ALDH1A1LMNAALOX12NR4A1
SCHEMBL27926381 0.82 PARP1 (0.72) PARP1ALDH1A1LMNAALOX12NR4A1
SCHEMBL27860057 0.80 PARP1 (0.49) PARP1ALDH1A1LMNAALOX12NR4A1
SCHEMBL8491258 0.80 PARP1 (0.49) PARP1ALDH1A1LMNAALOX12NR4A1
SCHEMBL1697020 0.78 PARP1 (0.55) PARP1ALDH1A1LMNAALOX12KDM4E
SCHEMBL8489966 0.77 PARP1 (0.47) PARP1ALDH1A1LMNAALOX12NR4A1
SCHEMBL8489086 0.77 PARP1 (0.47) PARP1ALDH1A1LMNAALOX12NR4A1

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-1999041239-A1 B CELL INHIBITORS NOVARTIS AG (CH) 1999-08-19 WO disclosed