SCHEMBL9628745

SCHEMBL9628745

Cc1cc2c(cc1C)SCCCC(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 4/20 0.46
▸ TP53 P04637 1/20 0.44
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CRBN Q96SW2 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34

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
SCHEMBL8853758 0.89 LMNA (0.54) KMT2AMEN1TSHRCYP2C19RAB9A
SCHEMBL9629602 0.82 KMT2A (0.53) KMT2AMEN1TSHRCYP2C19RAB9A
SCHEMBL14433978 0.78 EPHX2 (0.62) KMT2AMEN1RAB9ALMNAEPHX2
SCHEMBL9628734 0.76 KMT2A (0.43) KMT2AMEN1TSHRCYP2C19RAB9A
SCHEMBL9629681 0.76 KMT2A (0.49) KMT2AMEN1LMNATP53HDAC1
SCHEMBL9629595 0.76 HDAC1 (0.48) KMT2AMEN1CYP2C19LMNATP53
SCHEMBL9628766 0.75 MAOA (0.55) KMT2ALMNATP53HDAC1HDAC8
SCHEMBL9628996 0.74 MAPT (0.53) KMT2AMEN1TSHRCYP2C19RAB9A
SCHEMBL9629644 0.73 MAOB (0.68) KMT2AMEN1LMNAEPHX2MAPT
SCHEMBL9629024 0.72 KIF11 (0.47) HDAC1HDAC8HDAC6MAPTALDH1A1

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
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