SCHEMBL27870338

SCHEMBL27870338

CC(C(=O)C(C)c1ccc(Nc2ccc(OC(F)F)cc2)cc1)c1ccc(Nc2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
TEAD4 Q15561 1/20 0.50
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.45
ADAM17 P78536 1/20 0.45
ROCK1 Q13464 1/20 0.43
ACACB O00763 1/20 0.42
MAPK1 P28482 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL27738099 0.90 ALOX15 (0.49) KMT2AALDH1A1MEN1ALOX15GFER
SCHEMBL10881708 0.82 PTGS2 (0.52) ALDH1A1ALOX15GFERADAM17LMNA
SCHEMBL28243247 0.80 PTGS2 (0.50) ALDH1A1ALOX15GFERADAM17LMNA
SCHEMBL11014337 0.79 ALOX15 (0.49) KMT2AALDH1A1MEN1ALOX15GFER
SCHEMBL184737 0.79 ROCK1 (0.47) MAPTKMT2AALDH1A1MEN1TEAD4
SCHEMBL27870340 0.78 ALDH1A1 (0.43) MAPTKMT2AALDH1A1MEN1TEAD4
SCHEMBL185920 0.78 ALDH1A1 (0.56) MAPTKMT2AALDH1A1MEN1TEAD4
SCHEMBL9272487 0.77 MAPT (0.51) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL4124118 0.75 KMT2A (0.69) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL8834358 0.74 PARP10 (0.44) MAPTKMT2AMEN1ACACBPKM

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
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed