SCHEMBL29909055

SCHEMBL29909055

COc1ccc(-c2cccc(N(C)c3nc4nncn4c4cc(C=O)ccc34)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TP53 P04637 3/20 0.36
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
CYP2A6 P11509 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGER4 P35408 1/20 0.32
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 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
SCHEMBL23576801 1.00 ALDH1A1 (0.36) ALDH1A1TP53MTNR1AMTNR1BCYP2A6
SCHEMBL23578008 0.91 TP53 (0.36) ALDH1A1TP53MTNR1AMTNR1BKMT2A
SCHEMBL29909352 0.91 TP53 (0.36) ALDH1A1TP53MTNR1AMTNR1BKMT2A
SCHEMBL29909317 0.90 DHODH (0.33) ALDH1A1CYP2A6MEN1KMT2AMAPT
SCHEMBL23576639 0.90 DHODH (0.33) ALDH1A1CYP2A6MEN1KMT2AMAPT
SCHEMBL23576641 0.89 FNTA (0.35) ALDH1A1TP53MAPTPTGER4
SCHEMBL29909377 0.89 FNTA (0.35) ALDH1A1TP53MAPTPTGER4
SCHEMBL23577116 0.88 ASIC1 (0.33) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL29909022 0.88 ASIC1 (0.33) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL24721227 0.87 TP53 (0.41) ALDH1A1TP53KMT2AMAPTEGFR

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-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed