SCHEMBL10695859

SCHEMBL10695859

CCCCCC(=O)Nc1nc2ccccc2s1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.75
HDAC1 Q13547 4/20 0.74
HDAC2 Q92769 2/20 0.74
HDAC8 Q9BY41 2/20 0.74
HDAC6 Q9UBN7 2/20 0.74
HDAC3 O15379 1/20 0.74
HDAC4 P56524 1/20 0.74
HDAC7 Q8WUI4 1/20 0.74
HDAC10 Q969S8 1/20 0.74
HDAC11 Q96DB2 1/20 0.74
HDAC9 Q9UKV0 1/20 0.74
HDAC5 Q9UQL6 1/20 0.74
POLB P06746 1/20 0.69
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
ALDH1A1 P00352 3/20 0.65
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65

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
SCHEMBL20369717 0.99 MAPT (0.77) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL27622427 0.99 MAPT (0.77) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL6227275 0.96 MAPT (0.73) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL19771114 0.90 POLB (0.74) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL13681857 0.88 MAPT (0.60) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL3239389 0.86 POLB (0.82) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL8234055 0.86 HDAC1 (0.79) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL3237781 0.86 MAPT (1.00) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL11887784 0.85 POLB (0.84) MAPTHDAC1HDAC2HDAC8HDAC6
SCHEMBL6206186 0.84 RAB9A (0.72) MAPTPOLBNPC1RAB9ASMN1; SMN2

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
US-4780542-A REACTING AN ACID WITH AN ALKYL CHLOROFORMATE TO GIVE AN ANHYDRIDE, THEN WITH AMINE OR ALCOHOL MONTEFIORE MEDICAL CENTER (US) 1988-10-25 US disclosed