SCHEMBL31315992

SCHEMBL31315992

O=C(CCCc1ccc(-c2cccnc2F)cc1)Nc1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
MAPT P10636 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CYP3A4 P08684 1/20 0.72
TSHR P16473 1/20 0.72
MAPKAPK2 P49137 1/20 0.72
TRPV1 Q8NER1 5/20 0.58
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 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
SCHEMBL20508328 1.00 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31315991 0.91 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20508304 0.91 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17986755 0.88 MEN1 (0.55) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL169905 0.84 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29729259 0.84 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20508342 0.83 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31315989 0.83 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20508356 0.78 TRPV1 (0.67) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31315988 0.78 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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-119192065-A Anticancer compounds 悉尼大学 2024-12-27 CN disclosed