SCHEMBL4077983

SCHEMBL4077983

CNCCNC(=O)c1ccc(Br)cc1F.O=C(O)c1ccc(Br)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARD Q03181 1/20 0.46
DGAT1 O75907 1/20 0.45
HPGD P15428 2/20 0.44
ESRRG P62508 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAP2K1 Q02750 1/20 0.41

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
SCHEMBL2921979 0.94 TMEM97 (0.56) TMEM97SIGMAR1KMT2ANPC1RAB9A
SCHEMBL26838419 0.87 TMEM97 (0.59) TMEM97SIGMAR1KMT2ANPC1RAB9A
SCHEMBL3934495 0.84 TMEM97 (0.65) TMEM97SIGMAR1KMT2ANPC1RAB9A
SCHEMBL21333220 0.83 HPGD (0.49) TMEM97SIGMAR1KMT2ANPC1RAB9A
SCHEMBL30285543 0.83 HPGD (0.49) TMEM97SIGMAR1KMT2ANPC1RAB9A
SCHEMBL582871 0.81 TMEM97 (0.57) TMEM97SIGMAR1KMT2ANPC1RAB9A
SCHEMBL4510569 0.80 TMEM97 (0.58) TMEM97SIGMAR1KMT2ANPC1RAB9A
SCHEMBL24100547 0.79 HPGD (0.66) TMEM97SIGMAR1KMT2ANPC1RAB9A
SCHEMBL582402 0.79 TMEM97 (0.61) TMEM97SIGMAR1KMT2ANPC1RAB9A
SCHEMBL156346 0.79 DGAT1 (0.68) TMEM97SIGMAR1KMT2ANPC1RAB9A

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
EP-2044058-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2009-04-08 EP disclosed
WO-2007148070-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-12-27 WO disclosed