SCHEMBL13611383

SCHEMBL13611383

C1=CC2=C(CC1)/C(=N/n1nnc3ccccc31)c1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC9A1 P19634 2/20 0.32
KEAP1 Q14145 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
THPO P40225 1/20 0.32
CYP4Z1 Q86W10 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL13604190 0.77 SLC9A1 (0.44) MAPK1POLBATMNPC1TP53
SCHEMBL20198218 0.67 ALDH1A1 (0.41) POLBSMN1; SMN2ALDH1A1
SCHEMBL9544601 0.67 TRPA1 (0.33) MEN1KMT2A
SCHEMBL21217189 0.65 TRPA1 (0.33)
SCHEMBL5694968 0.63 SLC9A1 (0.54) MAPK1POLBATMNPC1TP53
SCHEMBL12672548 0.61 MEN1 (0.41) MAPK1POLBNPC1TP53RAB9A
SCHEMBL9181176 0.61 PTPRC (0.44) MAPK1POLBNPC1TP53RAB9A
SCHEMBL19619922 0.61 SLC9A1 (0.50) MAPK1POLBATMNPC1TP53
SCHEMBL19114528 0.60 ALDH1A1 (0.37) ATMALDH1A1
SCHEMBL15040780 0.59 SLC9A1 (0.53) MAPK1POLBATMNPC1TP53

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
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed