SCHEMBL3722192

SCHEMBL3722192

Cc1cc(F)cc(C)c1NC(=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
GPR35 Q9HC97 6/20 0.43
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
PTPRB P23467 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAPGEF4 Q8WZA2 2/20 0.37
PTPN1 P18031 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL18415511 0.90 ALDH1A1 (0.61) ALDH1A1LMNAMEN1MAPTCRHBP
SCHEMBL18795896 0.83 ALDH1A1 (0.70) ALDH1A1GPR35LMNAMEN1MAPT
SCHEMBL29035952 0.82 ALDH1A1 (0.52) ALDH1A1GPR35LMNAMEN1MAPT
SCHEMBL22430520 0.79 HPGD (0.51) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL11419363 0.76 ALDH1A1 (0.50) ALDH1A1LMNAMAPTRAPGEF4
SCHEMBL3729817 0.75 ALDH1A1 (0.63) ALDH1A1GPR35LMNAMEN1MAPT
SCHEMBL23317645 0.74 HTT (0.57) ALDH1A1LMNAMAPTNPSR1L3MBTL1
SCHEMBL22430504 0.74 KMT2A (0.44) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL22430551 0.74 TSHR (0.57) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL25886916 0.74 ALDH1A1 (0.40) ALDH1A1LMNAMAPTHPGDPTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010125103-A1 DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed