SCHEMBL8853550

SCHEMBL8853550

O=C1CCSc2ccc(Cl)cc2N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
KMT2A Q03164 3/20 0.56
VHL P40337 1/20 0.54
ELOC Q15369 1/20 0.54
ELOB Q15370 1/20 0.54
TP53 P04637 1/20 0.49
AHR P35869 2/20 0.49
CMA1 P23946 1/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 6/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL9629681 0.90 KMT2A (0.49) HDAC1HDAC8HDAC6KMT2AVHL
SCHEMBL7454625 0.83 HTT (0.59) KMT2ATP53AHRCMA1MAPT
SCHEMBL5638460 0.80 KMT2A (0.62) HDAC1HDAC8HDAC6KMT2ATP53
SCHEMBL5507140 0.80 HDAC1 (0.57) HDAC1HDAC8HDAC6KMT2ATP53
SCHEMBL5255291 0.78 TP53 (0.60) HDAC1HDAC8HDAC6KMT2ATP53
SCHEMBL3328663 0.78 HDAC1 (0.55) HDAC1HDAC8HDAC6KMT2AVHL
SCHEMBL5745653 0.76 HDAC1 (0.57) HDAC1HDAC8HDAC6KMT2ATP53
SCHEMBL5311151 0.76 HTT (0.73) HDAC1HDAC8HDAC6KMT2ATP53
SCHEMBL10075537 0.76 HDAC1 (0.53) HDAC1HDAC8HDAC6KMT2ATP53
SCHEMBL8853694 0.76 MAOA (0.57) HDAC1HDAC8HDAC6KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657407-B1 Process for the preparation of 3-fluoro-4,6-dichlorotoluene BAYER AG (DE) 1997-12-10 EP disclosed
US-5475164-A Process for preparing 3-fluoro-4,6-dichlorotoluene BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
EP-0657407-A1 Process for the preparation of 3-fluoro-4,6-dichlorotoluene BAYER AG (DE) 1995-06-14 EP disclosed
EP-0292824-B1 PROCESS FOR THE NUCLEAR CHLORINATION OF AROMATIC HYDROCARBONS BAYER AG (DE) 1990-08-01 EP disclosed
US-4851596-A Process for nucleus-chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0292824-A1 Process for the nuclear chlorination of aromatic hydrocarbons BAYER AG (DE) 1988-11-30 EP disclosed