SCHEMBL31184955

SCHEMBL31184955

Cc1cccc2c1CN(C1CCC(C(=O)Nc3cc4ccccc4[nH]3)CC1)C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.39
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ ABL1 P00519 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ RET P07949 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 2/20 0.33

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
SCHEMBL31184828 0.86 CDK4 (0.41) AHRMAPTTP53SMN1; SMN2NUDT1
SCHEMBL31184771 0.79 RXFP2 (0.44) ABL1POLBKDM4EMEN1KMT2A
SCHEMBL31184895 0.78 MGLL (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL31184910 0.77 TRPV1 (0.40) MAPTSMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL31184907 0.77 JAK2 (0.40) MAPTJAK2MEN1KMT2A
SCHEMBL31185102 0.76 POLB (0.44) MAPTSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL31184406 0.76 POLB (0.43) MAPTSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL8122988 0.76 SMN1; SMN2 (0.55) AHRMAPTSMN1; SMN2LMNAJAK2
SCHEMBL31185080 0.76 MALT1 (0.53) SMN1; SMN2ALDH1A1HPGD
SCHEMBL31184698 0.76 CHRM4 (0.36) MAPTSMN1; SMN2ALDH1A1JAK2NPSR1

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
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