SCHEMBL9765693

SCHEMBL9765693

CCC(Nc1ccnc(C)c1Cl)c1ccc(OC(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.36
HDAC6 Q9UBN7 2/20 0.35
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 1/20 0.34
ATP1B2 P14415 1/20 0.34
ATP1A2 P50993 1/20 0.34
ATP1B3 P54709 1/20 0.34
FXYD2 P54710 1/20 0.34
ATP1A4 Q13733 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
SCN1A P35498 4/20 0.33
SCN5A Q14524 4/20 0.33
SCN8A Q9UQD0 4/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX12 P18054 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
SCHEMBL8840624 0.84 CRHR1 (0.34) CRHR1HDAC6ATP1A1ATP1B1ATP1A3
SCHEMBL23037 0.81 CRHR1 (0.38) CRHR1HDAC6ALDH1A1MAPTGAA
SCHEMBL9193841 0.73 CRHR1 (0.39) CRHR1HDAC6MAPTKMT2AMEN1
SCHEMBL8025137 0.73 EGFR (0.37) CRHR1HDAC6KMT2AMEN1
SCHEMBL9728674 0.72 EGFR (0.39) CRHR1HDAC6ALDH1A1MAPTGAA
SCHEMBL9729074 0.71 JAK2 (0.38) CRHR1HDAC6ALDH1A1MAPTGAA
SCHEMBL8286106 0.70 MAPK1 (0.42) HDAC6ALDH1A1MAPTGAALMNA
SCHEMBL16563461 0.67 FAAH (0.47) ALDH1A1LMNAKDM4EKMT2APDE2A
SCHEMBL9728970 0.67 EGFR (0.40) MAPTLMNARAB9AKMT2APDE2A
SCHEMBL9821894 0.65 CXCR2 (0.38) CRHR1SCN1ASCN5ASCN8ALMNA

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
JP-3220104-A None JP disclosed
JP-H03220104-A GERMICIDE COMPOSITION UBE IND LTD 1991-09-27 JP disclosed