SCHEMBL6633489

SCHEMBL6633489

CC(C)CNNC(=O)c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.67
▸ HDAC1 Q13547 3/20 0.67
▸ HDAC2 Q92769 3/20 0.67
▸ METAP2 P50579 2/20 0.53
▸ RAB9A P51151 3/20 0.50
▸ DEGS1 O15121 1/20 0.50
▸ METAP1 P53582 1/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ GAA P10253 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47

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
SCHEMBL16866256 0.84 GAA (0.68) HDAC3HDAC1HDAC2RAB9AKMT2A
SCHEMBL6638062 0.83 HDAC3 (0.77) HDAC3HDAC1HDAC2RAB9ADEGS1
SCHEMBL5592711 0.80 RAB9A (0.58) HDAC3HDAC1HDAC2RAB9AKMT2A
SCHEMBL17141739 0.80 HDAC3 (1.00) HDAC3HDAC1HDAC2KMT2AHDAC8
SCHEMBL6638846 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC8
SCHEMBL13569035 0.77 HDAC3 (0.60) HDAC3HDAC1HDAC2RAB9AKMT2A
SCHEMBL27578181 0.77 HDAC3 (0.64) HDAC3HDAC1HDAC2RAB9ADEGS1
SCHEMBL7836520 0.77 SMN1; SMN2 (0.61) RAB9AKMT2AHDAC8MEN1NPC1
SCHEMBL27641548 0.77 HDAC3 (0.63) HDAC3HDAC1HDAC2RAB9ADEGS1
SCHEMBL13753280 0.76 MLYCD (0.55) HDAC3HDAC1HDAC2RAB9AKMT2A

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-1420044-A2 Rubber composition and pneumatic tire Bridgestone Corporation (JP) 2004-05-19 — — EP disclosed
EP-0909788-A1 RUBBER COMPOSITION AND PNEUMATIC TIRES Bridgestone Corporation (JP) 1999-04-21 — — EP disclosed
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