SCHEMBL21819802

SCHEMBL21819802

COC(=O)c1ccc(-c2ccccc2)cc1NC(=O)CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.56
▸ HCAR2 Q8TDS4 9/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ LTB4R Q15722 1/20 0.50
▸ HPGD P15428 2/20 0.48
▸ ACLY P53396 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL21819809 0.92 KDM4E (0.56) KDM4EHCAR2MEN1LMNAKMT2A
SCHEMBL21819804 0.89 ACLY (0.58) KDM4EMEN1LMNAKMT2AHPGD
SCHEMBL19512040 0.89 HCAR2 (0.65) HCAR2MEN1KMT2AACLY
SCHEMBL19512011 0.89 MEN1 (0.49) KDM4EHCAR2MEN1LMNAKMT2A
SCHEMBL19512120 0.88 KDM4E (0.49) KDM4EHCAR2MEN1LMNAKMT2A
SCHEMBL19512108 0.82 HCAR2 (0.65) HCAR2TRPV1
SCHEMBL21819805 0.81 POLB (0.54) KDM4EHCAR2MEN1LMNAKMT2A
SCHEMBL19512102 0.81 KDM4E (0.47) KDM4EHCAR2MEN1LMNAKMT2A
SCHEMBL19511947 0.80 HCAR2 (0.56) KDM4EHCAR2ACLYALDH1A1
SCHEMBL19512028 0.80 KDM4E (0.49) KDM4EHCAR2MEN1LMNAKMT2A

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-3239133-B1 DREAM NEURONAL CALCIUM SENSOR-MODULATING COMPOUNDS, AND THERAPEUTIC USES THEREOF CONSEJO SUPERIOR INVESTIGACION (ES) 2020-04-01 — — EP claimed
EP-3239133-B1 DREAM NEURONAL CALCIUM SENSOR-MODULATING COMPOUNDS, AND THERAPEUTIC USES THEREOF CONSEJO SUPERIOR INVESTIGACION (ES) 2020-04-01 — — EP disclosed
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