SCHEMBL29332295

SCHEMBL29332295

O=C1N(c2ccc(O)cc2)N(c2ccc(Br)cc2)C(=O)C12CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.45
▸ ESR1 P03372 5/20 0.42
▸ ESR2 Q92731 5/20 0.42
▸ GLB1 P16278 1/20 0.41
▸ CTRB1 P17538 1/20 0.41
▸ CTRC Q99895 1/20 0.41
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MGLL Q99685 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ MAP3K7 O43318 1/20 0.35
▸ TAB1 Q15750 1/20 0.35
▸ AGER Q15109 1/20 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
SCHEMBL29332140 0.91 FAAH (0.42) KMT2AMGLLFAAHNPSR1MMP13
SCHEMBL29332293 0.83 ALDH1A1 (0.45) CTRCKMT2AGAAMAPTMGLL
SCHEMBL29332141 0.72 ELANE (0.47) KMT2AMGLLMEN1POLB
SCHEMBL29332050 0.72 POLB (0.47) CTRCGAAMAPTMGLLMAPK1
SCHEMBL29332137 0.72 FAAH (0.42) MGLLFAAHSMN1; SMN2
SCHEMBL29332224 0.72 MGLL (0.42) KMT2AGAAMAPTMGLLTDP1
SCHEMBL7683232 0.71 ESR2 (0.64) ALOX15ESR1ESR2GLB1CTRB1
SCHEMBL6118114 0.67 ALOX15 (1.00) ALOX15ESR1ESR2GLB1CTRB1
SCHEMBL17443 0.67 — —
Formaldehyde SCHEMBL9616525 0.65 ALOX15 (0.81) ALOX15ESR1ESR2GLB1CTRB1

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-2024150252-A1 PYRAZOLIDINE-3, 5-DIONE BASED COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2024-07-18 — — WO disclosed
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