SCHEMBL28933542

SCHEMBL28933542

O=C(O)c1cc([N+](=O)[O-])cc2c([N+](=O)[O-])ccc(C(=O)NCCO)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38
▸ CYP3A4 P08684 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL29402621 1.00 KMT2A (0.48) KMT2ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL11420009 0.84 ALDH1A1 (0.47) LMNAALDH1A1MAPTCYP3A4HTT
SCHEMBL29402417 0.83 ALDH1A1 (0.42) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28691276 0.83 ALDH1A1 (0.42) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28701186 0.81 NPC1 (0.43) KMT2ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL29405418 0.81 NPC1 (0.43) KMT2ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL29402419 0.80 KMT2A (0.49) KMT2ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL28701181 0.80 KMT2A (0.49) KMT2ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL2966985 0.74 KMT2A (0.46) KMT2ANPC1RAB9ALMNASMN1; SMN2
SCHEMBL3422209 0.74 ALDH1A1 (0.46) KMT2ANPC1RAB9ALMNASMN1; SMN2

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-114106341-A Comb copolymer and preparation method and application thereof 广州立邦涂料有限公司 2022-03-01 — — CN claimed
CN-114106341-A Comb copolymer and preparation method and application thereof 广州立邦涂料有限公司 2022-03-01 — — CN disclosed
Send feedback