SCHEMBL9443095

SCHEMBL9443095

O=C(S)CC(C(=O)O)c1nc2c(NCc3ccccc3)cccc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HDAC6 Q9UBN7 5/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 3/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4D Q6B0I6 1/20 0.36

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
SCHEMBL9443111 0.84 GAA (0.36) CD38L3MBTL1HSD17B10HDAC6HDAC1
SCHEMBL9443099 0.82 ADORA1 (0.36) CD38L3MBTL1HSD17B10HDAC6HDAC1
SCHEMBL9307532 0.79 LIPG (0.40) HSD17B10ALDH1A1HPGD
SCHEMBL8972769 0.78 GAA (0.45) L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL8972078 0.76 POLB (0.34) HSD17B10ALDH1A1POLBHPGD
SCHEMBL9305750 0.75 L3MBTL1 (0.32) L3MBTL1HSD17B10KDM4EALDH1A1POLB
SCHEMBL9306332 0.75 HSD17B10 (0.38) CD38L3MBTL1HSD17B10HDAC6HDAC1
SCHEMBL402775 0.75 HPGD (0.55) L3MBTL1HSD17B10ALDH1A1POLBHPGD
SCHEMBL9443105 0.75 PPARA (0.46) CD38L3MBTL1HSD17B10HDAC6HDAC1
Ammonia Solution, Strong SCHEMBL7033471 0.74 HPGD (0.53) L3MBTL1HSD17B10ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed