SCHEMBL8735833

SCHEMBL8735833

CCNC(=O)c1c(Cl)cccc1NC(C)(C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
P2RX7 Q99572 1/20 0.39
CXCL8 P10145 4/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE2A O00408 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
SCHEMBL7217473 0.86 ALDH1A1 (0.44) ALDH1A1HPGDPOLBLMNAP2RX7
SCHEMBL8734958 0.84 POLB (0.44) ALDH1A1HPGDPOLBLMNAP2RX7
SCHEMBL8732664 0.81 CXCL8 (0.45) ALDH1A1POLBLMNACXCL8HTT
SCHEMBL7218227 0.78 ALDH1A1 (0.42) ALDH1A1HPGDPOLBLMNAP2RX7
SCHEMBL4155966 0.78 ALDH1A1 (0.61) ALDH1A1HPGDPOLBP2RX7JAK2
SCHEMBL8730894 0.76 HTT (0.44) ALDH1A1HPGDPOLBLMNAP2RX7
SCHEMBL8732675 0.75 POLB (0.43) ALDH1A1HPGDPOLBLMNAP2RX7
SCHEMBL7217875 0.75 ALDH1A1 (0.50) ALDH1A1HPGDPOLBP2RX7JAK2
SCHEMBL8733063 0.74 POLB (0.42) ALDH1A1HPGDPOLBLMNAP2RX7
SCHEMBL7217388 0.72 ALDH1A1 (0.44) ALDH1A1HPGDPOLBLMNAP2RX7

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
EP-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP claimed