SCHEMBL31184992

SCHEMBL31184992

Cc1cc(NCCN(C)C)cc2c1CN(C1CCC(C(=O)Nc3ccc(Cl)c(F)c3)CC1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.41
▸ EPHX2 P34913 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ UBE2M P61081 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ TCF7L2 Q9NQB0 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ USP2 O75604 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
SCHEMBL31185053 0.89 TP53 (0.40) KMT2ALMNAALDH1A1POLBSMN1; SMN2
SCHEMBL31184767 0.88 MALT1 (0.45) ALDH1A1SMN1; SMN2MALT1HPGD
SCHEMBL31184614 0.86 ALDH1A1 (0.40) TSHRKMT2ALMNAALDH1A1POLB
SCHEMBL31184642 0.86 ALDH1A1 (0.40) ALDH1A1POLBSMN1; SMN2KDM4EHPGD
SCHEMBL31184949 0.83 ALDH1A1 (0.39) KMT2ALMNAALDH1A1POLBSMN1; SMN2
SCHEMBL31184812 0.82 MGLL (0.48) MGLLEPHX2TSHRKMT2ALMNA
SCHEMBL31184615 0.82 LMNA (0.31) LMNAPOLB
SCHEMBL31184824 0.82 ALDH1A1 (0.37) KMT2AALDH1A1POLBSMN1; SMN2MALT1
SCHEMBL31184568 0.81 MAPK1 (0.32) TSHRALDH1A1POLB
SCHEMBL31184750 0.80 BTK (0.34) ALDH1A1

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
Send feedback