SCHEMBL19901463

SCHEMBL19901463

Cc1nc(N=Nc2nc(C(=O)OCc3ccccc3)nc(C(=O)OCc3ccccc3)n2)nc(C(=O)OCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
TSHR P16473 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 4/20 0.46
KMT2A Q03164 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.43
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP3A4 P08684 1/20 0.41
STAT1 P42224 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL19902247 0.92 TDP1 (0.54) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL19928471 0.90 TDP1 (0.56) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL19463514 0.87 TDP1 (0.56) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL14768871 0.82 TDP1 (0.66) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL18630437 0.81 TDP1 (0.49) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL21131754 0.81 TDP1 (0.49) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL20348533 0.78 TDP1 (0.56) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL20272108 0.77 ALDH1A1 (0.46) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL20305865 0.76 TDP1 (0.50) RAB9ATSHRSMN1; SMN2TDP1KMT2A
SCHEMBL20782415 0.76 TDP1 (0.53) RAB9ATSHRSMN1; SMN2TDP1KMT2A

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-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 US disclosed