SCHEMBL18581

SCHEMBL18581

CSc1nccc(C(F)(F)C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.34
SYK P43405 2/20 0.33
RORC P51449 1/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CCNA1 P78396 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL1184986 0.85 SYK (0.43) LMNAGAANPC1RAB9AALDH1A1
SCHEMBL29906009 0.85 SYK (0.43) LMNAGAANPC1RAB9AALDH1A1
SCHEMBL13019476 0.79 LMNA (0.39) LMNAGAANPC1RAB9AALDH1A1
SCHEMBL23121276 0.76 ALOX15 (0.40) LMNAGAANPC1RAB9AALDH1A1
SCHEMBL28173201 0.75 SORT1 (0.36) LMNAALDH1A1KDM4EPOLB
SCHEMBL750287 0.74 CCNT1 (0.38) LMNAGAANPC1RAB9AALDH1A1
SCHEMBL23121295 0.72 ALOX15 (0.42) LMNANPC1RAB9AALDH1A1MEN1
SCHEMBL13003244 0.71 LMNA (0.35) LMNAGAANPC1RAB9AALDH1A1
SCHEMBL8751966 0.71 TRPV4 (0.33)
SCHEMBL2014949 0.71 GABRA1 (0.38)

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
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed