SCHEMBL18904148

SCHEMBL18904148

COc1ccc(C)cc1[S+]([O-])Nc1c(C)nn(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 2/20 0.40
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NR2F2 P24468 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HPGD P15428 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
SCHEMBL18904190 0.71 TSHR (0.37) NMT1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL18903922 0.70 TP53 (0.44) NMT1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18903785 0.68 LMNA (0.37) NMT1SMN1; SMN2CRHBPCRHR2LMNA
SCHEMBL18903917 0.68 L3MBTL1 (0.37) NMT1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18904060 0.68 NMT1 (0.41) NMT1SMN1; SMN2NR2F2PKMLMNA
SCHEMBL16509495 0.66 FFAR4 (0.60) NMT1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18903780 0.66 NMT1 (0.42) NMT1SMN1; SMN2TSHRLMNAHTT
SCHEMBL18903979 0.65 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1ACHETSHRNPC1
SCHEMBL16509524 0.65 SMN1; SMN2 (0.33) NMT1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL16502943 0.64 KMT2A (0.59) NMT1MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2980076-B1 Pyrazolyl derivatives UNIV DUNDEE (GB) 2017-05-31 — — EP disclosed
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