SCHEMBL29993293

SCHEMBL29993293

O=C(C[Zn])N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 1/20 0.52
REN P00797 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
ALOX5 P09917 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ESR1 P03372 1/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49

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
SCHEMBL1128948 0.84 NPC1 (0.64) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL5146531 0.83 LMNA (0.55) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL17732626 0.83 REN (0.71) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL5146521 0.83 LMNA (0.55) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL825414 0.81 LMNA (0.63) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL1128947 0.81 ALDH1A1 (0.56) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL7129964 0.81 ALOX5 (0.66) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL5451636 0.81 NPC1 (0.67) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL6433208 0.81 ALDH1A1 (0.64) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL7278710 0.81 LMNA (0.53) LMNAALDH1A1NPSR1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334285-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS Kare Chemical Technologies Inc. (CA) 2024-03-13 EP disclosed
WO-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 WO disclosed