SCHEMBL9629595

SCHEMBL9629595

O=C1CCCSc2ccc(F)cc2N1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TP53 P04637 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5507140 0.90 HDAC1 (0.57) HDAC1HDAC8HDAC6TP53LMNA
SCHEMBL9629681 0.81 KMT2A (0.49) HDAC1HDAC8HDAC6TP53LMNA
SCHEMBL9629602 0.81 KMT2A (0.53) HDAC1HDAC8HDAC6TP53LMNA
SCHEMBL9629024 0.81 KIF11 (0.47) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL10509516 0.80 HTT (0.59) LMNAHTTALDH1A1NPC1
SCHEMBL9628766 0.78 MAOA (0.55) HDAC1HDAC8HDAC6TP53LMNA
SCHEMBL9628996 0.77 MAPT (0.53) HDAC1HDAC8HDAC6TP53LMNA
SCHEMBL9628745 0.76 KMT2A (0.46) HDAC1HDAC8HDAC6TP53LMNA
SCHEMBL7505614 0.75 MAPT (0.59) LMNAMAPTKMT2AMEN1NPC1
SCHEMBL5520219 0.73 ALDH1A1 (0.42) MAPTKMT2AALDH1A1MEN1NPC1

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