SCHEMBL9213708

SCHEMBL9213708

COC(=O)C(Br)=Cc1cc(NC(=O)OC2=C(OC(N)=O)CCCC2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 4/20 0.32
ATM Q13315 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL7964432 0.81 NPSR1 (0.41) MAPTLMNARAB9ASLC6A2SLC6A3
SCHEMBL7964429 0.81 NPSR1 (0.41) MAPTLMNARAB9ASLC6A2SLC6A3
SCHEMBL7963035 0.74 NPSR1 (0.37) POLBMEN1KMT2AMAPTHTT
SCHEMBL7963034 0.74 NPSR1 (0.37) POLBMEN1KMT2AMAPTHTT
SCHEMBL8304389 0.71 TP53 (0.33) MEN1KMT2AMAPTLMNAHTT
SCHEMBL7762961 0.62 NPSR1 (0.39) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL7967762 0.62 NPSR1 (0.39) KMT2AMAPTLMNAALDH1A1RAB9A
SCHEMBL7933665 0.60 DGAT1 (0.48) POLBMEN1KMT2AMAPTLMNA
SCHEMBL7933664 0.60 DGAT1 (0.48) POLBMEN1KMT2AMAPTLMNA
SCHEMBL8447906 0.60 MEN1 (0.36) MEN1KMT2A

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-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed