SCHEMBL31184751

SCHEMBL31184751

COc1cccc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.53
▸ MTNR1B P49286 2/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CHKA P35790 3/20 0.51
▸ TUBB4A P04350 1/20 0.50
▸ TUBB P07437 1/20 0.50
▸ TUBA3C P0DPH7 1/20 0.50
▸ TUBA1B P68363 1/20 0.50
▸ TUBA4A P68366 1/20 0.50
▸ TUBB4B P68371 1/20 0.50
▸ TUBB3 Q13509 1/20 0.50
▸ TUBB2A Q13885 1/20 0.50
▸ TUBB8 Q3ZCM7 1/20 0.50
▸ TUBA3E Q6PEY2 1/20 0.50
▸ TUBA1A Q71U36 1/20 0.50

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
SCHEMBL31184972 0.88 POLB (0.44) MTNR1AMTNR1BKMT2ATSHRALDH1A1
SCHEMBL31184640 0.88 POLB (0.45) KMT2ATSHRALDH1A1CHKACHKB
SCHEMBL31184475 0.88 POLB (0.49) KMT2AMEN1TP53ALDH1A1CHKA
SCHEMBL31184979 0.86 ALDH1A1 (0.46) KMT2AMEN1KDM4ETSHRALDH1A1
SCHEMBL31184761 0.86 MAPT (0.43) MTNR1AMTNR1BKMT2AMEN1TSHR
SCHEMBL31184809 0.85 MAPK1 (0.42) MTNR1AMTNR1BKMT2AMEN1KDM4E
SCHEMBL31184468 0.85 TP53 (0.44) KMT2ATP53TSHRALDH1A1IDO1
SCHEMBL31184673 0.85 MALT1 (0.43) MTNR1AMTNR1BKMT2AMEN1KDM4E
SCHEMBL31184499 0.85 MALT1 (0.46) KMT2AMEN1ALDH1A1CHKACHKB
SCHEMBL31185049 0.84 ALDH1A1 (0.44) KMT2AKDM4ETSHRALDH1A1MAPT

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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