SCHEMBL29040367

SCHEMBL29040367

Cn1c(=O)n(C)c2cc(C(=O)NO)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ATM Q13315 1/20 0.67
▸ SMN1; SMN2 Q16637 8/20 0.65
▸ ALDH1A1 P00352 5/20 0.65
▸ KDM4E B2RXH2 3/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ BRD4 O60885 2/20 0.65
▸ BRPF1 P55201 2/20 0.65
▸ GLA P06280 1/20 0.59
▸ MAPT P10636 4/20 0.54
▸ HTT P42858 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NR0B1 P51843 1/20 0.54
▸ RAB9A P51151 1/20 0.52
▸ HPGD P15428 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ LMNA P02545 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
SCHEMBL20660929 0.81 SMN1; SMN2 (0.58) MEN1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL1422842 0.80 SMN1; SMN2 (0.71) MEN1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL1119999 0.80 SMN1; SMN2 (0.71) MEN1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL7539164 0.79 SMN1; SMN2 (0.65) MEN1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL23846427 0.79 SMN1; SMN2 (1.00) MEN1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL31060459 0.79 SMN1; SMN2 (1.00) MEN1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL20116594 0.75 SMN1; SMN2 (0.68) MEN1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL20660930 0.75 SMN1; SMN2 (0.68) MEN1KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL16131037 0.75 MAOB (0.60) HDAC6HDAC1HDAC8
SCHEMBL4190022 0.75 SMN1; SMN2 (0.63) MEN1KMT2AATMSMN1; SMN2ALDH1A1

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-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 — — CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
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