SCHEMBL9516871

SCHEMBL9516871

O=C(O)CCNc1cccc(C=Cc2nc(-c3ccccc3)cs2)c1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
ALB P02768 1/20 0.43
HDAC4 P56524 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
PARP1 P09874 1/20 0.42
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL9516865 0.90 HDAC1 (0.42) ALDH1A1HDAC1HDAC6ALBHDAC4
SCHEMBL9514907 0.81 ALB (0.48) ALDH1A1ALBPARP1MAPTSMN1; SMN2
SCHEMBL9514406 0.80 ALOX5 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10720978 0.80 ALOX5 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9518092 0.78 MAPT (0.50) ALDH1A1ALBPARP1MAPTSMN1; SMN2
SCHEMBL9515547 0.77 KMT2A (0.38) ALDH1A1ALBHDAC4MAPTSMN1; SMN2
SCHEMBL9515533 0.77 KMT2A (0.38) ALDH1A1ALBHDAC4MAPTSMN1; SMN2
SCHEMBL7478874 0.76 NR1H4 (0.52) ALDH1A1HDAC4PARP1MAPTSMN1; SMN2
SCHEMBL7478870 0.76 NR1H4 (0.52) ALDH1A1HDAC4PARP1MAPTSMN1; SMN2
SCHEMBL5780476 0.75 ALB (0.74) ALDH1A1ALBMAPTSMN1; SMN2MEN1

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-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed