SCHEMBL24611655

SCHEMBL24611655

Cn1c(=O)n(CC2CCC(O)(C(F)(F)F)CO2)c(=O)c2c1ncn2CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ TRPA1 O75762 10/20 0.45
▸ LMNA P02545 2/20 0.37
▸ PDE4A P27815 2/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ ADORA2B P29275 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ PDE4B Q07343 1/20 0.35

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
SCHEMBL19607680 0.96 KMT2A (0.44) KMT2ATRPA1LMNAPDE4AESR1
SCHEMBL17682147 0.89 TRPA1 (0.48) TRPA1LMNAPDE4ACYP1A2NFKB1
SCHEMBL17682279 0.89 KMT2A (0.48) KMT2ATRPA1LMNAPDE4AESR1
SCHEMBL17682280 0.89 KMT2A (0.48) KMT2ATRPA1LMNAPDE4AESR1
SCHEMBL17682249 0.89 KMT2A (0.48) KMT2ATRPA1LMNAPDE4AESR1
SCHEMBL24611654 0.85 TRPA1 (0.56) KMT2ATRPA1
SCHEMBL19607674 0.85 KMT2A (0.47) KMT2ATRPA1LMNAPDE4AESR1
SCHEMBL17682211 0.81 KMT2A (0.45) KMT2ATRPA1LMNAPDE4AESR1
SCHEMBL18819573 0.81 KMT2A (0.47) KMT2ATRPA1LMNAPDE4AESR1
SCHEMBL17682199 0.81 KMT2A (0.44) KMT2ATRPA1LMNAPDE4AESR1

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