SCHEMBL9628770

SCHEMBL9628770

O=C(N1CCCCSc2ccccc21)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
KDM4E B2RXH2 1/20 0.47
DRD4 P21917 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AVPR2 P30518 1/20 0.43
AVPR1A P37288 1/20 0.43
POLB P06746 3/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD17B3 P37058 1/20 0.40
BCHE P06276 1/20 0.39
SHMT2 P34897 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL10353021 0.96 NOTUM (0.54) NOTUMKDM4EDRD4L3MBTL1LMNA
SCHEMBL10636595 0.90 NOTUM (0.65) NOTUMKDM4EDRD4L3MBTL1LMNA
SCHEMBL9628923 0.81 NOTUM (0.79) NOTUMKDM4EDRD4L3MBTL1LMNA
SCHEMBL9629591 0.77 DRD4 (0.57) NOTUMKDM4EDRD4L3MBTL1LMNA
SCHEMBL1909835 0.76 CA12 (0.45) NOTUMHPGDSMN1; SMN2HDAC1HDAC6
SCHEMBL10352868 0.76 NOTUM (0.82) NOTUMKDM4EDRD4L3MBTL1LMNA
SCHEMBL9629606 0.75 GSK3B (0.53) NOTUMKDM4ELMNASMN1; SMN2HDAC1
SCHEMBL7413168 0.74 DRD4 (0.59) NOTUMKDM4EDRD4L3MBTL1LMNA
SCHEMBL1911604 0.73 SMN1; SMN2 (0.68) NOTUMHPGDSMN1; SMN2POLBMAPT
SCHEMBL29876158 0.72 DRD4 (0.61) NOTUMKDM4EDRD4L3MBTL1LMNA

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-0340581-B1 PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS BAYER AG (DE) 1992-03-18 EP disclosed
US-4925994-A Process for the ring chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed