SCHEMBL28130587

SCHEMBL28130587

Cc1ccccc1NC(CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 5/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7561830 0.85 RAB9A (0.47) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL679864 0.85 RAB9A (0.47) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL9638522 0.83 RAB9A (0.46) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL2322993 0.83 RAB9A (0.46) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL16340022 0.83 PYGL (0.53) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL8435071 0.83 PYGL (0.53) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL3893777 0.82 L3MBTL1 (0.60) RAB9ANPC1HPGDPOLBITGB1
SCHEMBL3893774 0.82 L3MBTL1 (0.60) RAB9ANPC1HPGDPOLBITGB1
SCHEMBL28711052 0.81 KMT2A (0.50) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL28008720 0.81 ITGB3 (0.50) RAB9ANPC1HPGDITGB3ITGAV

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
CN-104379146-B Inhibit the composition and method of varial polymerases 拜奥克里斯特制药公司 2018-07-10 CN disclosed
CN-106573073-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2017-04-19 CN disclosed