SCHEMBL28915906

SCHEMBL28915906

NNCCCSc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ KMT2A Q03164 5/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ EHMT2 Q96KQ7 1/20 0.44
▸ EHMT1 Q9H9B1 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 2/20 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
SCHEMBL28840542 0.83 EHMT2 (0.50) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL9865701 0.80 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL9081971 0.79 HRH1 (0.53) ALDH1A1KMT2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL8615154 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL10974209 0.78 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL8621196 0.78 POLB (0.55) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL8621896 0.78 CHRM2 (0.64) ALDH1A1KMT2AMAPTMEN1PKM
SCHEMBL7208033 0.77 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL1743337 0.77 HRH1 (0.56) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL422519 0.77 ALDH1A1 (0.54) 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-115350285-A Selective delivery of dendrimers to brain tumors 约翰霍普金斯大学 2022-11-18 — — CN disclosed
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