SCHEMBL8009348

SCHEMBL8009348

CCc1ccccc1NC=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
ALDH1A1 P00352 9/20 0.48
HTT P42858 3/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.39
PKM P14618 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AMY1A P0DUB6 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
SCHEMBL8009339 1.00 MAPT (0.48) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8009336 1.00 MAPT (0.48) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6952081 0.89 MAPT (0.47) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6952078 0.89 MAPT (0.47) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6952087 0.89 MAPT (0.47) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6953374 0.88 MEN1 (0.62) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6953377 0.88 MEN1 (0.62) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8011510 0.86 KMT2A (0.39) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8011511 0.86 KMT2A (0.39) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8009327 0.86 MAPT (0.37) MAPTMEN1KMT2AALDH1A1HTT

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
US-6034099-A Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones CELL PATHWAYS, INC. (US) 2000-03-07 US claimed
US-6034099-A Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones CELL PATHWAYS, INC. (US) 2000-03-07 US disclosed