SCHEMBL11519940

SCHEMBL11519940

O=C(O)CCCCCNC(=S)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
MAPT P10636 1/20 0.67
ABAT P80404 1/20 0.61
KMT2A Q03164 2/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
HDAC3 O15379 7/20 0.58
HDAC4 P56524 7/20 0.58
HDAC1 Q13547 7/20 0.58
HDAC7 Q8WUI4 7/20 0.58
HDAC2 Q92769 7/20 0.58
HDAC10 Q969S8 7/20 0.58
HDAC11 Q96DB2 7/20 0.58
HDAC8 Q9BY41 7/20 0.58
HDAC6 Q9UBN7 7/20 0.58
HDAC9 Q9UKV0 7/20 0.58
HDAC5 Q9UQL6 7/20 0.58
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 2/20 0.55

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
SCHEMBL11672644 0.94 CA1 (0.68) ALDH1A1MAPTABATKMT2ACA1
SCHEMBL3901864 0.87 KMT2A (0.64) ALDH1A1MAPTABATKMT2AHDAC3
SCHEMBL9187979 0.84 EPHX1 (0.72) ALDH1A1KMT2AHDAC3HDAC4HDAC1
SCHEMBL15741798 0.84 EPHX1 (0.72) ALDH1A1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7104425 0.82 HDAC4 (0.63) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL5241936 0.82 HDAC1 (0.74) ALDH1A1MAPTABATKMT2AHDAC3
SCHEMBL10667599 0.81 KMT2A (0.75) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL11068116 0.81 KMT2A (0.75) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL5445981 0.81 KMT2A (0.75) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL5446742 0.81 KMT2A (0.75) ALDH1A1MAPTKMT2ALMNAGAA

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-4176017-A ACRYLAMIDE POLYMER, BORATE OR THIOUREA DERIVATIVE OXY METAL INDUSTRIES CORPORATION (US) 1979-11-27 US disclosed