SCHEMBL10380558

SCHEMBL10380558

COC(=O)C(Cc1cn(Cc2ccccc2)c2ccccc12)NC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
ADAM17 P78536 3/20 0.50
HDAC6 Q9UBN7 2/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
POLB P06746 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTR6 P50406 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 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
SCHEMBL9584716 1.00 KMT2A (0.57) KMT2AADAM17HDAC6HDAC10HDAC1
Hydrochloric Acid SCHEMBL10380914 0.99 KMT2A (0.59) KMT2AADAM17HDAC6HDAC10HDAC1
Hydrochloric Acid SCHEMBL10380913 0.99 KMT2A (0.59) KMT2AADAM17HDAC6HDAC10HDAC1
SCHEMBL9583775 0.87 KMT2A (0.54) KMT2AADAM17HDAC6HDAC10HDAC1
SCHEMBL9583769 0.87 KMT2A (0.54) KMT2AADAM17HDAC6HDAC10HDAC1
SCHEMBL9584105 0.84 KMT2A (0.65) KMT2AHDAC6HDAC10HDAC1HDAC8
SCHEMBL5870369 0.82 LMNA (0.45) KMT2AADAM17HDAC6HDAC10MMP2
SCHEMBL5870367 0.82 LMNA (0.45) KMT2AADAM17HDAC6HDAC10MMP2
SCHEMBL5870366 0.82 LMNA (0.45) KMT2AADAM17HDAC6HDAC10MMP2
SCHEMBL5869335 0.80 KMT2A (0.57) KMT2AADAM17HDAC6HDAC1HDAC8

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-0375133-A1 Alpha-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1990-06-27 EP claimed
WO-1990005721-A1 ALPHA-AMINO-INDOLE-3-ACETIC ACIDS USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1990-05-31 WO claimed