SCHEMBL21737503

SCHEMBL21737503

Cn1c(Br)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
HSD11B1 P28845 2/20 0.33
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21479586 0.82 RAB9A (0.40) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL13680580 0.73 RAB9A (0.39) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL16860520 0.73
SCHEMBL21871895 0.68 RAB9A (0.33) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL21872068 0.68 HPGD (0.35) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL16860582 0.67
SCHEMBL12147772 0.67 RAB9A (0.36) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL19556693 0.66 RAB9A (0.41) MYCRAB9ASMN1; SMN2GAANPC1
SCHEMBL17494888 0.66 RAB9A (0.44) RAB9ASMN1; SMN2GAANPC1LMNA
SCHEMBL17494864 0.63 RAB9A (0.56) RAB9ASMN1; SMN2GAANPC1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
CN-107074828-A Compounds and compositions as raf kinase inhibitors 诺华股份有限公司 2017-08-18 CN disclosed