SCHEMBL9629591

SCHEMBL9629591

O=C(CCl)N1CCCCSc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.57
NOTUM Q6P988 1/20 0.52
POLB P06746 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
MITF O75030 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL29876158 0.96 DRD4 (0.61) DRD4NOTUMPOLBL3MBTL1MAPT
SCHEMBL19888977 0.90 NOTUM (0.65) DRD4NOTUMPOLBL3MBTL1MAPT
SCHEMBL10668654 0.84 DRD4 (0.59) DRD4NOTUMPOLBL3MBTL1MAPT
SCHEMBL7413168 0.82 DRD4 (0.59) DRD4NOTUMPOLBL3MBTL1MAPT
SCHEMBL9628923 0.81 NOTUM (0.79) DRD4NOTUMPOLBL3MBTL1KMT2A
SCHEMBL10664492 0.80 DRD4 (0.57) DRD4NOTUMPOLBL3MBTL1MAPT
SCHEMBL9628770 0.77 NOTUM (0.52) DRD4NOTUMPOLBL3MBTL1MAPT
SCHEMBL9628891 0.76 GSK3B (0.54) DRD4NOTUMMAPTTP53MITF
SCHEMBL10352868 0.76 NOTUM (0.82) DRD4NOTUMPOLBL3MBTL1KMT2A
SCHEMBL7417652 0.75 POLB (0.61) DRD4NOTUMPOLBL3MBTL1MAPT

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 3 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
EP-0340581-A2 Process for the chlorination in the nucleus of aromatic hydrocarbons BAYER AG (DE) 1989-11-08 EP disclosed