SCHEMBL23752183

SCHEMBL23752183

C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 1.00
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
G6PD P11413 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
RORC P51449 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6652259 0.84 DHODH (0.72) DHODHMEN1KMT2ATHRBALDH1A1
SCHEMBL6652261 0.84 DHODH (0.72) DHODHMEN1KMT2ATHRBALDH1A1
SCHEMBL8714895 0.82 DHODH (0.69) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL8714900 0.82 DHODH (0.69) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL8810580 0.81 DHODH (0.67) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL9092492 0.81 DHODH (0.67) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL16742075 0.78 DHODH (1.00) DHODHMEN1KMT2ATHRBALDH1A1
SCHEMBL16742077 0.78 DHODH (1.00) DHODHMEN1KMT2ATHRBALDH1A1
SCHEMBL3250476 0.78 DHODH (0.82) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL5914902 0.78 DHODH (0.82) DHODHMEN1KMT2AG6PDCACNA1B

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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed