SCHEMBL29220515

SCHEMBL29220515

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(c3ccc4ncc(C(=O)NC5CC5)c(Nc5ccccc5)c4c3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ PTPN11 Q06124 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ USP30 Q70CQ3 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SYK P43405 1/20 0.42
▸ CSF1R P07333 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CCND2 P30279 1/20 0.41
▸ CCND3 P30281 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL29220526 0.96 POLB (0.51) POLBPTPN11LMNATHRBGPR119
Hydrochloric Acid SCHEMBL29220508 0.85 KHK (0.45) LMNAMEN1KMT2ASYKCSF1R
Hydrochloric Acid SCHEMBL30864152 0.85 KHK (0.45) LMNAMEN1KMT2ASYKCSF1R
SCHEMBL23575650 0.84 CSF1R (0.57) PTPN11SYKCSF1RCCND3
SCHEMBL23575656 0.81 MAPT (0.60) LMNATP53MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL30864146 0.79 MELK (0.46) LMNAMEN1KMT2ASYKCSF1R
Hydrochloric Acid SCHEMBL29220522 0.79 MELK (0.46) LMNAMEN1KMT2ASYKCSF1R
SCHEMBL23575564 0.78 CSF1R (0.54) PTPN11SYKCSF1R
SCHEMBL23575543 0.77 NUDT1 (0.46) LMNATP53MEN1KMT2ACSF1R
SCHEMBL23575854 0.75 MAPT (0.59) LMNATP53MEN1KMT2AMAPT

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-117771374-A Application of NUDT1 in preparing medicine for treating MYC high expression or MYC amplified tumor 武汉大学 2024-03-29 — — CN disclosed
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