SCHEMBL13788815

SCHEMBL13788815

CC(C)(C)NOCc1ccc(Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP8 P22894 2/20 0.32
MMP12 P39900 2/20 0.32
MMP13 P45452 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
FFAR1 O14842 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL791424 0.72
SCHEMBL7747781 0.72 ALDH1A1 (0.43) RAB9AALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL7931020 0.72 ALDH1A1 (0.39) RAB9AALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL9917327 0.69 KMT2A (0.44) RAB9AALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL1715239 0.69
SCHEMBL5546776 0.68 ALDH1A1 (0.38) RAB9AALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL3804047 0.67 SLC6A2 (0.47) RAB9AALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL256014 0.65
SCHEMBL6053314 0.65 KMT2A (0.42) RAB9AALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL13799436 0.64 MEN1 (0.46) RAB9AKMT2ASMN1; SMN2LMNAPOLB

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
US-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 US disclosed
US-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 US disclosed