SCHEMBL28707482

SCHEMBL28707482

O=C(CCSc1ccccn1)ON1C(=O)C=CC1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL10340343 0.87 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL30498662 0.86 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL277974 0.86 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL10340185 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL10340287 0.82 HDAC1 (0.41) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL10340513 0.81 HDAC1 (0.42) ALDH1A1KMT2AMAPTLMNA
SCHEMBL20983700 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL22203070 0.77 LMNA (0.40) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL29430092 0.77 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL29130297 0.77 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTNPC1RAB9A

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
CN-114073775-A Combination therapy for delivery across the blood brain barrier 比奥阿赛斯技术有限公司 2022-02-22 CN disclosed