SCHEMBL31184673

SCHEMBL31184673

COc1ncc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 2/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CHKA P35790 5/20 0.41
▸ TYK2 P29597 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CHKB Q9Y259 1/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39

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
SCHEMBL31184783 0.92 MALT1 (0.54) MALT1KMT2AMEN1TP53TSHR
SCHEMBL31184691 0.86 JAK2 (0.45) KMT2AMEN1TP53TSHRKDM4E
SCHEMBL31184751 0.85 MTNR1A (0.53) KMT2AMEN1TP53TSHRKDM4E
SCHEMBL31184640 0.84 POLB (0.45) MALT1KMT2ATSHRCHKATYK2
SCHEMBL31184545 0.84 KDM4E (0.43) MALT1KMT2AMEN1TP53TSHR
SCHEMBL31184979 0.83 ALDH1A1 (0.46) KMT2AMEN1TSHRKDM4ENPC1
SCHEMBL31184972 0.83 POLB (0.44) MALT1KMT2ATSHRCHKATYK2
SCHEMBL31184475 0.83 POLB (0.49) MALT1KMT2AMEN1TP53CHKA
SCHEMBL31184780 0.82 MAPK1 (0.43) KMT2ATP53TSHRTYK2NPC1
SCHEMBL31184657 0.81 ALDH1A1 (0.44) KMT2ATSHRKDM4ETYK2NPC1

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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