SCHEMBL11313667

SCHEMBL11313667

CC(=O)Nc1cc(Cl)cc(N)c1Cl.c1cc2ccc1o2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ HDAC3 O15379 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CHUK O15111 1/20 0.38
▸ SLC9A1 P19634 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ LMNA P02545 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
SCHEMBL11313654 0.82 ALDH1A1 (0.41) HDAC1KDM4EHDAC3HDAC2SLC9A1
SCHEMBL8423555 0.76 HDAC1 (0.46) HDAC1KDM4EHSD17B10HDAC3HDAC2
SCHEMBL19174724 0.76 HDAC1 (0.46) HDAC1KDM4EHSD17B10HDAC3HDAC2
SCHEMBL9210058 0.74 HDAC1 (0.58) HDAC1KDM4EHSD17B10HDAC3HDAC2
SCHEMBL9651918 0.74 HDAC1 (0.70) HDAC1KDM4EHSD17B10HDAC3HDAC2
SCHEMBL29904755 0.74 HDAC1 (0.70) HDAC1KDM4EHSD17B10HDAC3HDAC2
SCHEMBL11309021 0.73 HDAC3 (0.40) HDAC1KDM4EHSD17B10HDAC3HDAC2
SCHEMBL11307894 0.72 MAPT (0.36) HDAC1KDM4EHSD17B10HDAC3HDAC2
SCHEMBL11310907 0.71 ALDH1A1 (0.46) HDAC1KDM4EHSD17B10HDAC3HDAC2
SCHEMBL3118143 0.70 ALDH1A1 (0.48) HDAC1KDM4EHSD17B10HDAC3HDAC2

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
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 — — US disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 — — US disclosed
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