SCHEMBL7929591

SCHEMBL7929591

CCCCOC(=O)C(=CNN(C)C)C(=O)c1cc(I)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ESR1 P03372 3/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTT P42858 2/20 0.34
RECQL P46063 2/20 0.34
THRB P10828 2/20 0.33
TSHR P16473 2/20 0.33
THRA P10827 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7929589 1.00 HPGD (0.36) HPGDSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL7834315 0.81 ESR1 (0.37) HPGDSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL7834312 0.81 ESR1 (0.37) HPGDSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL4154025 0.76 KMT2A (0.39) HPGDCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL3290298 0.76 KMT2A (0.39) HPGDCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7843664 0.73 L3MBTL1 (0.45) HPGDSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL3289338 0.69 NPSR1 (0.43) HPGDSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL9222407 0.68 HTT (0.47) HPGDSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL9222398 0.66 HTT (0.47) HPGDSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL9222401 0.66 HTT (0.47) HPGDSMN1; SMN2NPC1RAB9ACYP1A2

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-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed