SCHEMBL8998075

SCHEMBL8998075

C#CCCOc1cc(NC(=O)OCC)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNQ2 O43526 1/20 0.40
KCNQ4 P56696 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DHODH Q02127 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8998111 0.90 MAOA (0.39) ALDH1A1RECQLLMNATSHRNPSR1
SCHEMBL9407131 0.79 ALDH1A1 (0.48) ALDH1A1RECQLLMNATSHRNPSR1
SCHEMBL7220721 0.77 ALDH1A1 (0.54) ALDH1A1RECQLTSHRKCNQ2KCNQ4
SCHEMBL10576902 0.77 P2RX3 (0.46) ALDH1A1RECQLLMNATSHRNPSR1
SCHEMBL8083816 0.77 ALDH1A1 (0.46) ALDH1A1RECQLLMNATSHRNPSR1
SCHEMBL8998078 0.77 CYP2B6 (0.44) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL24170851 0.76 SMN1; SMN2 (0.53) ALDH1A1TSHRKCNQ2KCNQ4CYP1A2
SCHEMBL8084401 0.75 ALDH1A1 (0.51) ALDH1A1RECQLTSHRKCNQ2KCNQ4
SCHEMBL24961026 0.74 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1KCNQ2KCNQ4
SCHEMBL16774399 0.74 DHODH (0.45) ALDH1A1LMNATSHRSMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496347-B1 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEM RES (JP) 1996-09-04 EP disclosed
US-5391807-A Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-02-21 US disclosed
US-5344953-A Fluorobenzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-09-06 US disclosed
US-5281742-A Bis(fluorophenyl) carbonate derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-25 US disclosed
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed