SCHEMBL7656460

SCHEMBL7656460

O=C(NCc1ccccc1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
HDAC6 Q9UBN7 2/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
BLM P54132 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
S1PR3 Q99500 1/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 1/20 0.55
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL7654965 0.82 KMT2A (0.65) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17744942 0.82 HDAC6 (0.68) POLBHDAC6HDAC2HDAC8MAPT
SCHEMBL673385 0.81 HDAC1 (0.69) POLBCYP3A4CYP2C9HDAC6HDAC2
SCHEMBL11900090 0.80 HDAC6 (0.85) POLBHDAC6HDAC2HDAC8HPGD
SCHEMBL7657652 0.79 POLB (0.76) POLBCYP3A4CYP2C9HDAC6HDAC2
SCHEMBL18601428 0.78 KMT2A (0.68) POLBHDAC6HDAC2HDAC8MEN1
SCHEMBL1383257 0.77 POLB (1.00) POLBCYP3A4CYP2C9HDAC6HDAC2
SCHEMBL457082 0.77 HDAC6 (0.79) HDAC6HDAC2HDAC8ALDH1A1HPGD
SCHEMBL7651627 0.76 POLB (0.76) POLBCYP3A4CYP2C9BLMMEN1
SCHEMBL28616232 0.76 HDAC6 (0.59) POLBHDAC6HDAC2HDAC8MAPT

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-6407120-B1 ADMINISTERING PYRIDINYLACETAMIDE OR PHENYLACETAMIDE DERIVATIVE TO TREAT CARDIOVASCULAR, EATING, SEXUAL, BRAIN, NERVOUS SYSTEM, GASTROINTESTINAL, UROGENITAL, PSYCHOLOGICAL, AND RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2002-06-18 US disclosed