SCHEMBL31184828

SCHEMBL31184828

Cc1cccc2c1CN(C1CCC(C(=O)Nc3cc4ccccc4[nH]3)CC1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.41
▸ AHR P35869 1/20 0.39
▸ NUDT1 P36639 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PARP14 Q460N5 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL31184955 0.86 AHR (0.39) AHRNUDT1KMT2AABL1MAPT
SCHEMBL31184422 0.84 MAPK1 (0.40) CDK4NUDT1MAPK1TSHRKMT2A
SCHEMBL31184845 0.83 SMN1; SMN2 (0.60) CDK4MAPTTP53SMN1; SMN2NPC1
SCHEMBL31184544 0.82 HTR2C (0.36) AHRTSHRKMT2AMAPTTP53
SCHEMBL31184686 0.79 RXFP2 (0.45) NUDT1TSHRKMT2AABL1MAPT
SCHEMBL31184979 0.79 ALDH1A1 (0.46) MAPK1TSHRKMT2AMAPTSMN1; SMN2
SCHEMBL31184994 0.78 GRM1 (0.44) TSHRKMT2AMAPTSMN1; SMN2NPC1
SCHEMBL31184763 0.78 EPHX2 (0.49) TSHRKMT2AMAPTSMN1; SMN2NPC1
SCHEMBL31185026 0.77 KMT2A (0.48) MAPK1TSHRKMT2AMAPTSMN1; SMN2
SCHEMBL8122988 0.77 SMN1; SMN2 (0.55) AHRKMT2APARP14MAPTSMN1; SMN2

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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