SCHEMBL29801063

SCHEMBL29801063

Cc1ncccc1CNC(=O)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.57
▸ TSHR P16473 1/20 0.56
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 2/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ PIK3CA P42336 1/20 0.48
▸ SCN2A Q99250 1/20 0.48
▸ SCN10A Q9Y5Y9 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL17888306 0.83 PIK3CA (0.55) MEN1KMT2ACYP3A4HPGDSMN1; SMN2
SCHEMBL24976786 0.83 PIK3CA (0.48) KMT2AHPGDHDAC1HDAC6ALDH1A1
SCHEMBL29801076 0.83 PIK3CA (0.48) KMT2AHPGDHDAC1HDAC6ALDH1A1
SCHEMBL31659696 0.82 THRB (0.59) THRBTSHRMEN1KMT2ANPC1
SCHEMBL29801155 0.80 THRB (0.54) THRBTSHRMEN1KMT2ANPC1
SCHEMBL17886678 0.80 LMNA (0.59) MEN1KMT2ACYP1A2RAB9AHDAC6
SCHEMBL27827746 0.79 THRB (0.59) THRBTSHRMEN1KMT2ANPC1
SCHEMBL13731868 0.79 CYP2C9 (0.59) MEN1KMT2ACYP1A2GAAHPGD
SCHEMBL21077877 0.78 RAB9A (0.52) MEN1KMT2ANPC1HPGDRAB9A
SCHEMBL13779327 0.78 POLB (0.67) MEN1KMT2AGAAHPGDHDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930509-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2025-05-06 — — CN disclosed
CN-114929672-B Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2025-01-21 — — CN disclosed
CN-114929672-A Cancer therapy targeting cancer stem cells 治疗方案股份有限公司 2022-08-19 — — CN disclosed
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