SCHEMBL31184428

SCHEMBL31184428

Cc1cccc2c1CN(C1CCC(C(=O)Nc3ccc(=O)[nH]c3)CC1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TYK2 P29597 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ GSPT1 P15170 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ MEN1 O00255 2/20 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
SCHEMBL31185026 0.86 KMT2A (0.48) KMT2ATSHRMAPK1ALDH1A1NPC1
SCHEMBL31184409 0.85 ALDH1A1 (0.40) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL31184979 0.85 ALDH1A1 (0.46) KMT2ATSHRMAPK1ALDH1A1NPC1
SCHEMBL31184657 0.83 ALDH1A1 (0.44) KMT2ATSHRMAPK1ALDH1A1NPC1
SCHEMBL31185049 0.83 ALDH1A1 (0.44) KMT2ATSHRMAPK1ALDH1A1NPC1
SCHEMBL31184686 0.83 RXFP2 (0.45) KMT2ATSHRALDH1A1NPC1RAB9A
SCHEMBL31184763 0.82 EPHX2 (0.49) KMT2ATSHRALDH1A1NPC1RAB9A
SCHEMBL31184520 0.82 KMT2A (0.43) KMT2ATSHRMAPK1ALDH1A1NPC1
SCHEMBL31184994 0.82 GRM1 (0.44) KMT2ATSHRALDH1A1NPC1RAB9A
SCHEMBL31184422 0.82 MAPK1 (0.40) KMT2ATSHRHTR2AHTR2CHTR2B

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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