SCHEMBL11712866

SCHEMBL11712866

Nc1ccc(C(=O)c2ccccn2)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
HSD17B14 Q9BPX1 1/20 0.59
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL30753851 0.86 KMT2A (0.56) KMT2AHSD17B14CES2CES1HDAC3
SCHEMBL6771181 0.86 HSD17B14 (0.71) KMT2AHSD17B14CES2CES1HDAC3
SCHEMBL11715543 0.81 LMNA (0.56) KMT2AHSD17B14L3MBTL1LMNAALDH1A1
SCHEMBL8866141 0.81 KMT2A (0.72) KMT2AHSD17B14CES2CES1HDAC3
SCHEMBL10688592 0.80 KMT2A (0.66) KMT2AHSD17B14CES2CES1HDAC3
SCHEMBL7266631 0.78 KMT2A (0.62) KMT2AHSD17B14CES2CES1L3MBTL1
SCHEMBL6947603 0.78 HSD17B14 (0.74) KMT2AHSD17B14CES2CES1HDAC1
SCHEMBL11869288 0.78 KMT2A (0.50) KMT2AHSD17B14HDAC1HDAC8HDAC6
SCHEMBL3836387 0.77 KMT2A (0.61) KMT2AHSD17B14CES2CES1L3MBTL1
SCHEMBL29373829 0.76 KMT2A (1.00) KMT2AHSD17B14CES2CES1L3MBTL1

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-4026936-A Anthelmintic pyridine and thiazole substituted benzimidazole carbamates HOFFMANN-LA ROCHE INC. (US) 1977-05-31 US disclosed