SCHEMBL29655203

SCHEMBL29655203

Nc1ccc(-c2ccccc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.64
MAPT P10636 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
POLB P06746 1/20 0.64
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.47
DHFR P00374 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
PDE7A Q13946 2/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43

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
SCHEMBL27480430 0.85 ALDH1A1 (0.46) TDP1MAPTMEN1KMT2APOLB
SCHEMBL29655290 0.81 TDP1 (0.64) TDP1MAPTMEN1KMT2APOLB
SCHEMBL28258156 0.81 TDP1 (0.64) TDP1MAPTMEN1KMT2APOLB
SCHEMBL29655079 0.81 TDP1 (0.64) TDP1MAPTMEN1KMT2APOLB
SCHEMBL27864754 0.81 TDP1 (0.64) TDP1MAPTMEN1KMT2APOLB
SCHEMBL10714748 0.81 TDP1 (0.64) TDP1MAPTMEN1KMT2APOLB
SCHEMBL719169 0.81 TDP1 (0.64) TDP1MAPTMEN1KMT2APOLB
SCHEMBL16816932 0.80 TDP1 (0.62) TDP1MAPTMEN1KMT2APOLB
SCHEMBL29409289 0.79 MAPT (1.00) TDP1MAPTMEN1KMT2APOLB
SCHEMBL737722 0.79 MAPT (1.00) TDP1MAPTMEN1KMT2APOLB

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
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 CN disclosed