SCHEMBL24611658

SCHEMBL24611658

Cn1c(=O)n(CC(C)(CO)CO)c(=O)c2c1ncn2CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.46
▸ LMNA P02545 4/20 0.44
▸ ADORA2B P29275 3/20 0.44
▸ TRPA1 O75762 3/20 0.43
▸ PDE4A P27815 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL19607724 0.99 KMT2A (0.50) KMT2ARXFP1LMNAADORA2BTRPA1
SCHEMBL18256065 0.81 KMT2A (0.64) KMT2ARXFP1LMNAADORA2BMAPT
SCHEMBL19607817 0.80 KMT2A (0.46) KMT2ARXFP1LMNAADORA2BTRPA1
SCHEMBL18256137 0.79 KMT2A (0.66) KMT2ARXFP1LMNAADORA2BMAPT
SCHEMBL17682143 0.78 ADORA2B (0.61) RXFP1LMNAADORA2BPDE4ACYP1A2
SCHEMBL20182588 0.78 KMT2A (0.47) KMT2ARXFP1LMNAADORA2BTRPA1
SCHEMBL18819581 0.78 KMT2A (0.50) KMT2ARXFP1LMNAADORA2BTRPA1
SCHEMBL19607604 0.77 PDE4A (0.46) KMT2ARXFP1LMNAADORA2BTRPA1
SCHEMBL18256060 0.77 KMT2A (0.66) KMT2ARXFP1LMNAADORA2BMAPT
SCHEMBL18819573 0.77 KMT2A (0.47) KMT2ARXFP1LMNAADORA2BTRPA1

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
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 — — US disclosed
Send feedback