SCHEMBL29442374

SCHEMBL29442374

Cc1cc(NCCCN)nc(N)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.78
▸ HRH3 Q9Y5N1 1/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ HRH4 Q9H3N8 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C19 P33261 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL26345520 1.00 TLR8 (0.78) TLR8HRH3MEN1KMT2AALDH1A1
SCHEMBL20434306 0.88 TLR8 (1.00) TLR8MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2849398 0.86 TLR8 (0.90) TLR8MEN1KMT2AALDH1A1CYP1A2
SCHEMBL5791298 0.85 TLR8 (0.88) TLR8MEN1KMT2AALDH1A1CYP1A2
SCHEMBL8585646 0.84 TLR8 (0.81) TLR8MEN1KMT2AALDH1A1CYP1A2
SCHEMBL17985629 0.83 TLR8 (0.69) TLR8HRH3MEN1KMT2AALDH1A1
SCHEMBL5792943 0.81 TLR8 (0.66) TLR8HRH3MEN1KMT2AALDH1A1
SCHEMBL28265778 0.81 CYP2D6 (0.68) TLR8HRH3MEN1KMT2AALDH1A1
SCHEMBL28043727 0.80 HRH4 (0.56) TLR8HRH3MEN1KMT2AALDH1A1
SCHEMBL6128303 0.79 TLR8 (0.69) TLR8HRH3MEN1KMT2AHPGD

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
WO-2022046999-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-03-03 — — WO disclosed
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