SCHEMBL29876830

SCHEMBL29876830

O=C1CCN2CCc3cc(Br)cc(c32)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP6 P55212 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
RAD52 P43351 1/20 0.33
HTR2C P28335 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2346449 0.79 KMT2A (0.52) NPSR1TSHRUSP2LMNASMN1; SMN2
SCHEMBL29876546 0.76 MAPT (0.39) RXFP1TP53MAPTPOLBKMT2A
SCHEMBL29876743 0.76 HTR2C (0.51) KDM4EMAPTKMT2AHTR2CMEN1
SCHEMBL5470276 0.74 KMT2A (0.55) NPSR1TSHRUSP2LMNASMN1; SMN2
Bromide SCHEMBL11364490 0.72 KMT2A (0.53) NPSR1TSHRUSP2LMNASMN1; SMN2
SCHEMBL31472212 0.72 NPC1 (0.45) L3MBTL1MAPTKMT2A
SCHEMBL21577669 0.71 HTR2C (0.60) HTR2C
SCHEMBL1762390 0.68 CYP11B1 (0.57) L3MBTL1KMT2A
SCHEMBL9829355 0.68 MEN1 (0.33) TSHRKMT2AMEN1
SCHEMBL29876793 0.66 NPC1 (0.57) TSHRLMNAMAPTKMT2AMEN1

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-2022213975-A1 COMPOUNDS TARGETING Y220C MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-10-13 WO disclosed