SCHEMBL9864867

SCHEMBL9864867

N#Cc1cccc(C(=O)Nc2cccc(C(=O)NCCC(=O)OCc3ccccc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.51
PAX8 Q06710 1/20 0.49
ROCK2 O75116 1/20 0.48
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
KDM1B Q8NB78 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45

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
SCHEMBL9866336 0.87 LMNA (0.54) NR1H4LMNAMEN1KMT2ARAB9A
SCHEMBL9335708 0.83 NR1H4 (0.49) NR1H4PAX8LMNAMEN1KMT2A
SCHEMBL9867345 0.83 NAMPT (0.52) NR1H4PAX8LMNAKDM1AMAOA
SCHEMBL7906614 0.81 SENP1 (0.46) NR1H4PAX8LMNAMEN1KMT2A
SCHEMBL9865584 0.81 NAMPT (0.60) NR1H4PAX8LMNAHDAC3KDM1A
SCHEMBL9335795 0.81 CTSL (0.51) KDM1AMAOAKDM1BRCOR1
SCHEMBL9865730 0.81 CTSL (0.51) KDM1AMAOAKDM1BRCOR1
SCHEMBL9866050 0.81 GAA (0.54) LMNAMEN1KMT2ARAB9AGAA
SCHEMBL9865717 0.80 KDM1A (0.48) NR1H4PAX8LMNAKDM1AMAOA
SCHEMBL9864590 0.80 PAX8 (0.52) NR1H4PAX8LMNAKDM1AMAOA

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-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed