SCHEMBL9629614

SCHEMBL9629614

Cc1ccc2c(c1)NC(=S)CCCS2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.36
CHRM1 P11229 1/20 0.36
CTSL P07711 1/20 0.35
LMNA P02545 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MMP12 P39900 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9629602 0.81 KMT2A (0.53) KMT2AEPHX2ALDH1A1TP53LMNA
SCHEMBL9628788 0.77 ALDH1A1 (0.62) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL9629579 0.75 SMN1; SMN2 (0.31)
SCHEMBL5638460 0.74 KMT2A (0.62) KMT2AEPHX2TP53LMNAHDAC1
SCHEMBL5636666 0.73 ALDH1A1 (0.42) KMT2AEPHX2ALDH1A1TP53CTSL
SCHEMBL11339018 0.71 ALDH1A1 (0.38) KMT2AEPHX2ALDH1A1CTSLMAPT
SCHEMBL10226479 0.69 GAA (0.53) KMT2AEPHX2ALDH1A1TP53CTSL
SCHEMBL13776033 0.67 ALDH1A1 (0.38) KMT2AEPHX2ALDH1A1CTSLLMNA
SCHEMBL434490 0.67 EPHX2 (0.77) KMT2AEPHX2ALDH1A1LMNAMMP12
SCHEMBL10226490 0.67 EPHX2 (0.49) KMT2AEPHX2ALDH1A1LMNAMMP12

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