SCHEMBL9711484

SCHEMBL9711484

CCOc1ccc(C2CC(=O)C(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C(=O)N2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PSMD14 O00487 1/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 3/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
HPD P32754 1/20 0.35

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
SCHEMBL9711575 0.86 NPC1 (0.43) MAPTKMT2AHPGDMEN1SMN1; SMN2
SCHEMBL9711475 0.85 TRPV1 (0.42) MAPTKMT2AHPGDMEN1SMN1; SMN2
SCHEMBL9711515 0.78 MAPT (0.41) MAPTHPGDSMN1; SMN2ALDH1A1MAPK1
SCHEMBL9711481 0.78 SMN1; SMN2 (0.41) HPGDSMN1; SMN2ALDH1A1POLBMAPK1
SCHEMBL8980327 0.76 CYP2C19 (0.40) MAPTKMT2AHPGDMEN1SMN1; SMN2
SCHEMBL9711499 0.74 KMT2A (0.40) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9711611 0.73 HPD (0.49) KMT2AHPGDMEN1SMN1; SMN2ALDH1A1
SCHEMBL9229472 0.71 SMN1; SMN2 (0.44) HPGDSMN1; SMN2ALDH1A1POLBCYP2C19
SCHEMBL9711468 0.71 SMN1; SMN2 (0.38) MAPTKMT2AHPGDMEN1SMN1; SMN2
SCHEMBL10584278 0.70 ALDH1A1 (0.44) KMT2AHPGDMEN1SMN1; SMN2ALDH1A1

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-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed